VYT

Azo-Combretastatin A4 (trans)

Created:	2023-09-20
Last modified:	2023-09-27

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8 entries where VYT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of VYT

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Chemical Component Summary
Name	Azo-Combretastatin A4 (trans)
Synonyms	2-methoxy-5-[(E)-(3,4,5-trimethoxyphenyl)diazenyl]phenol
Systematic Name (OpenEye OEToolkits)	2-methoxy-5-[(~{E})-(3,4,5-trimethoxyphenyl)diazenyl]phenol
Formula	C₁₆ H₁₈ N₂ O₅
Molecular Weight	318.325
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)OC)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1O)/N=N/c2cc(c(c(c2)OC)OC)OC
InChI	InChI	1.06	InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3/b18-17+
InChIKey	InChI	1.06	AIRZFEKQGRSBNX-ISLYRVAYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.