Vitas-M small molecule compound

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

Catalog ID
STK027072
SMILES COc1ccc(c(c1)OC)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(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 C25H23ClN4O3S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O3S/c1-16-4-10-19(11-5-16)30-24(17-6-8-18(26)9-7-17)28-29-25(30)34-15-23(31)27-21-13-12-20(32-2)14-22(21)33-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey
IDIXRTJQGGYHMH-UHFFFAOYSA-N
Synonyms
332948-00-2
2((5(4chlorophenyl)4(4methylphenyl)124triazol3yl)sulfanyl)N(24dimethoxyphenyl)acetamide
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N(24DIMETHOXYPHENYL)ACETAMIDE
2((5(4CHLOROPHENYL)4(PTOLYL)4H124TRIAZOL3YL)THIO)N(24DIMETHOXYPHENYL)ACETAMIDE
332948002
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)OC)OC)C4=CC=C(C=C4)Cl
COc1ccc(c(c1)OC)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl
InChI=1SC25H23ClN4O3Sc11641019(11516)3024(176818(26)9717)282925(30)341523(31)2721131220(322)1422(21)333h414H15H213H3(H2731)
MFCD02739558
N(24DIMETHOXYPHENYL)2(5(4CHLOROPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK027072
ZINC000000888294
ZINC00888294
ZINC888294

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Available files

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