Vitas-M small molecule compound
2,3-dimethoxy-6-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STL047436
SMILES COc1c(OC)ccc(c1C(=O)[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H29N5O8S MW 607.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O8S/c1-38-20-12-11-17(24(28(36)37)26(20)42-5)15-30-31-23(35)16-43-29-33-32-27(34(29)19-9-7-6-8-10-19)18-13-21(39-2)25(41-4)22(14-18)40-3/h6-15H,16H2,1-5H3,(H,31,35)(H,36,37)/b30-15+InChIKey
NKHLAAXDXCTFSG-FJEPWZHXSA-NSynonyms
23dimethoxy6((E)((2((4phenyl5(345trimethoxyphenyl)124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
23dimethoxy6((E)(2(((4phenyl5(345trimethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
COC1=C(C(=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O)OC
COc1c(OC)ccc(c1C(=O)(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC
InChI=1SC29H29N5O8Sc13820121117(24(28(36)37)26(20)425)15303123(35)164329333227(34(29)1997681019)181321(392)25(414)22(1418)403h615H16H215H3(H3135)(H3637)b3015+
MFCD01583576
ZINC000100355395
ZINC100355391
Check stock
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Check stock on Vitas-MAvailable files
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