Vitas-M small molecule compound

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

Catalog ID
STK104713
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cccnc2)nnc1c1ccc(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 C27H28N6O2S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O2S/c1-27(2,3)21-9-7-20(8-10-21)25-31-32-26(33(25)22-11-13-23(35-4)14-12-22)36-18-24(34)30-29-17-19-6-5-15-28-16-19/h5-17H,18H2,1-4H3,(H,30,34)/b29-17+
InChIKey
FDHKCBUXCWSNIW-STBIYBPSSA-N
Synonyms
489414-95-1
(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(pyridin3ylmethylene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)PYRIDIN3YLMETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)PYRIDIN3YLMETHYLIDENE)ACETOHYDRAZIDE
489414951
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CN=CC=C4
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2cccnc2)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC27H28N6O2Sc127(23)219720(81021)25313226(33(25)22111323(354)141222)361824(34)302917196515281619h517H18H214H3(H3034)b2917+
MFCD03220114
N((1E)2(3PYRIDYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002262282
ZINC33351795

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Available files

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