Vitas-M small molecule compound

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

Catalog ID
STK600113
SMILES COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

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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 C25H23ClN4O4S MW 511.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O4S/c1-32-21-13-10-18(14-22(21)33-2)27-24(31)16-35-25-29-28-23(15-34-20-6-4-3-5-7-20)30(25)19-11-8-17(26)9-12-19/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey
XJFOHBKBRFSRLJ-UHFFFAOYSA-N
Synonyms
900287-84-5
2((4(4CHLOROPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)N(34DIMETHOXYPHENYL)ACETAMIDE
2((4(4chlorophenyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)N(34dimethoxyphenyl)acetamide
2((4(4chlorophenyl)5(phenoxymethyl)4H124triazol3yl)thio)N(34dimethoxyphenyl)acetamide
900287845
COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)COC4=CC=CC=C4)OC
InChI=1SC25H23ClN4O4Sc13221131018(1422(21)332)2724(31)163525292823(1534206435720)30(25)1911817(26)91219h314H1516H212H3(H2731)
MFCD06613670
N(34DIMETHOXYPHENYL)2(4(4CHLOROPHENYL)5(PHENOXYMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002364114
ZINC02364114
ZINC2364114

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Available files

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