Vitas-M small molecule compound

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

Catalog ID
STK105502
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C\c1ccncc1

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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/c1-19-5-11-23(12-6-19)33-25(21-7-9-22(10-8-21)27(2,3)4)31-32-26(33)35-18-24(34)30-29-17-20-13-15-28-16-14-20/h5-17H,18H2,1-4H3,(H,30,34)/b29-17-
InChIKey
BNPKTUFWQLSPQW-RHANQZHGSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(pyridin4ylmethylene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)PYRIDIN4YLMETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)PYRIDIN4YLMETHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=NC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H28N6OSc11951123(12619)3325(217922(10821)27(23)4)313226(33)351824(34)30291720131528161420h517H18H214H3(H3034)b2917
MFCD03219976
N((1Z)2(4PYRIDYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=Cc1ccncc1
ZINC000030742917
ZINC01818177
ZINC1818177

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Available files

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