Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK106319
SMILES COc1cc(/C=N\NC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)ccc1O

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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 C29H31N5O3S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S/c1-19-6-13-23(14-7-19)34-27(21-9-11-22(12-10-21)29(2,3)4)32-33-28(34)38-18-26(36)31-30-17-20-8-15-24(35)25(16-20)37-5/h6-17,35H,18H2,1-5H3,(H,31,36)/b30-17-
InChIKey
LFSJTIHAYSOZHM-LQNQUEJISA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(4hydroxy3methoxybenzylidene)acetohydrazide
2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)N((Z)(4hydroxy3methoxyphenyl)methylidene)acetohydrazide
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)ccc1O
MFCD03219950
ZINC000030743022

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.