Vitas-M small molecule compound

2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide

Catalog ID
STK594423
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2CC)nnc1COc1ccc(cc1)Cl

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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 C27H27ClN4O3S MW 523.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN4O3S/c1-3-19-7-5-6-8-24(19)29-26(33)18-36-27-31-30-25(17-35-23-13-9-20(28)10-14-23)32(27)21-11-15-22(16-12-21)34-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,29,33)
InChIKey
YSFUXJQJZIOLBZ-UHFFFAOYSA-N
Synonyms
896853-15-9
2((5((4CHLOROPHENOXY)METHYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(2ETHYLPHENYL)ACETAMIDE
2((5((4chlorophenoxy)methyl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)N(2ethylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4(4ethoxyphenyl)4H124triazol3yl)thio)N(2ethylphenyl)acetamide
2((5(4CHLOROPHENOXYMETHYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(2ETHYLPHENYL)ACETAMIDE
2(5((4CHLOROPHENOXY)METHYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))N(2ETHYLPHENYL)ACETAMIDE
896853159
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)COC4=CC=C(C=C4)Cl
InChI=1SC27H27ClN4O3Sc1319756824(19)2926(33)183627313025(17352313920(28)101423)32(27)21111522(161221)3442h516H341718H212H3(H2933)
MFCD06603116
ZINC000002237334
ZINC02237334
ZINC2237334

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Available files

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