Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL047013
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C
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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 C28H29N5O3S MW 515.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3S/c1-28(2,3)21-9-7-20(8-10-21)26-31-32-27(33(26)22-11-15-24(36-4)16-12-22)37-18-25(35)30-29-17-19-5-13-23(34)14-6-19/h5-17,34H,18H2,1-4H3,(H,30,35)/b29-17+InChIKey
QYPVUKTXIRAZSZ-STBIYBPSSA-NSynonyms
487030-27-34((E)(2(((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
487030273
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)(O))(nH+)nc1c1ccc(cc1)C(C)(C)C
MFCD03220067
ZINC000002321534
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