Vitas-M small molecule compound
4-{(1E)-1-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]propyl}phenolate
Catalog ID
STK560960
SMILES CC/C(=N\NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)/c1ccc(cc1)[O-]
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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 C30H33N5O2S MW 527.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O2S/c1-6-26(21-11-17-25(36)18-12-21)31-32-27(37)19-38-29-34-33-28(35(29)24-15-7-20(2)8-16-24)22-9-13-23(14-10-22)30(3,4)5/h7-18,36H,6,19H2,1-5H3,(H,32,37)/b31-26+InChIKey
VVDLZXDMNCOULO-GKPLWNPISA-NSynonyms
487036-24-84((1E)1(2(((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)propyl)phenolate
CCC(=NNC(=O)CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)(O)
MFCD03219914
ZINC000009018909
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