Vitas-M small molecule compound

N-(2-tert-butylphenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK568284
SMILES COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccccc1C(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 C27H27ClN4O2S MW 507.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN4O2S/c1-27(2,3)21-10-6-7-11-22(21)29-24(33)17-35-26-31-30-25(20-9-5-8-12-23(20)34-4)32(26)19-15-13-18(28)14-16-19/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey
DVHBUYAGSKKWCR-UHFFFAOYSA-N
Synonyms
848998-22-1
848998221
CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC
InChI=1SC27H27ClN4O2Sc127(23)2110671122(21)2924(33)173526313025(209581223(20)344)32(26)19151318(28)141619h516H17H214H3(H2933)
MFCD05679565
N(2(tertbutyl)phenyl)2((4(4chlorophenyl)5(2methoxyphenyl)4H124triazol3yl)thio)acetamide
N(2(TERTBUTYL)PHENYL)2(4(4CHLOROPHENYL)5(2METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(2TERTBUTYLPHENYL)2((4(4CHLOROPHENYL)5(2METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2tertbutylphenyl)2((4(4chlorophenyl)5(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000002448241
ZINC02448241
ZINC2448241

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Available files

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