Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
Catalog ID
STK019137
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C(/c1cccnc1)\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 C27H28N6OS MW 484.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6OS/c1-19(21-9-8-16-28-17-21)29-30-24(34)18-35-26-32-31-25(33(26)23-10-6-5-7-11-23)20-12-14-22(15-13-20)27(2,3)4/h5-17H,18H2,1-4H3,(H,30,34)/b29-19+InChIKey
QMRKEUQLAZMUOF-VUTHCHCSSA-NSynonyms
303107-35-9(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(1(pyridin3yl)ethylidene)acetohydrazide
2((5(4tertbutylphenyl)4phenyl124triazol3yl)sulfanyl)N((E)1pyridin3ylethylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(PYRIDIN3YL)ETHYLIDENE)ACETOHYDRAZIDE
303107359
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C4=CN=CC=C4
InChI=1SC27H28N6OSc119(219816281721)293024(34)183526323125(33(26)23106571123)20121422(151320)27(23)4h517H18H214H3(H3034)b2919+
MFCD02641939
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=C(c1cccnc1)C
STK019137
ZINC000008986318
ZINC33777014
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