Vitas-M small molecule compound
2-{(Z)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-(prop-2-en-1-yl)phenolate
Catalog ID
STL040038
SMILES C=CCc1cccc(c1[O-])/C=N\NC(=O)CSc1[nH+]nc(n1c1ccccc1)c1ccc(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 C28H27N5O4S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S/c1-4-9-19-10-8-11-21(26(19)35)17-29-30-25(34)18-38-28-32-31-27(33(28)22-12-6-5-7-13-22)20-14-15-23(36-2)24(16-20)37-3/h4-8,10-17,35H,1,9,18H2,2-3H3,(H,30,34)/b29-17-InChIKey
BXTCTYFPDQHXFF-RHANQZHGSA-NSynonyms
306757-22-22((Z)(2(((5(34dimethoxyphenyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
306757222
C=CCc1cccc(c1(O))C=NNC(=O)CSc1(nH+)nc(n1c1ccccc1)c1ccc(c(c1)OC)OC
MFCD03299662
ZINC000058987133
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