Vitas-M small molecule compound

N-[4-(acetylamino)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL051391
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nnc1c1ccc(cc1)OC

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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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-4-36-24-15-11-22(12-16-24)32-26(19-5-13-23(35-3)14-6-19)30-31-27(32)37-17-25(34)29-21-9-7-20(8-10-21)28-18(2)33/h5-16H,4,17H2,1-3H3,(H,28,33)(H,29,34)
InChIKey
XBEOPHBPCMIOBO-UHFFFAOYSA-N
Synonyms
861147-84-4
861147844
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CC=C(C=C4)OC
InChI=1SC27H27N5O4Sc143624151122(121624)3226(1951323(353)14619)303127(32)371725(34)29219720(81021)2818(2)33h516H417H213H3(H2833)(H2934)
MFCD04904365
N(4(acetylamino)phenyl)2((4(4ethoxyphenyl)5(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(4(ACETYLAMINO)PHENYL)2(4(4ETHOXYPHENYL)5(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(4ACETAMIDOPHENYL)2((4(4ETHOXYPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4ACETAMIDOPHENYL)2((4(4ETHOXYPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4acetamidophenyl)2((4(4ethoxyphenyl)5(4methoxyphenyl)4H124triazol3yl)thio)acetamide
ZINC000009308235
ZINC09308235
ZINC9308235

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Available files

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