Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chlorophenyl)methylidene]acetohydrazide
Catalog ID
STK074623
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccc(cc1)Cl
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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 C27H26ClN5OS MW 504.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5OS/c1-27(2,3)21-13-11-20(12-14-21)25-31-32-26(33(25)23-7-5-4-6-8-23)35-18-24(34)30-29-17-19-9-15-22(28)16-10-19/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+InChIKey
SGQAZPZIANFINQ-STBIYBPSSA-NSynonyms
361164-36-5(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(4chlorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4CHLOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4CHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361164365
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)Cl
InChI=1SC27H26ClN5OSc127(23)21131120(121421)25313226(33(25)237546823)351824(34)3029171991522(28)161019h417H18H213H3(H3034)b2917+
MFCD02641898
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1ccc(cc1)Cl
STK074623
ZINC000002329573
ZINC33361176
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