Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Catalog ID
STL293794
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2OC)OC)nnc1c1ccc(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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-4-11-26-20(14-5-7-15(22)8-6-14)24-25-21(26)30-13-19(27)23-17-10-9-16(28-2)12-18(17)29-3/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)InChIKey
CDBJXUSXRSOJOH-UHFFFAOYSA-NSynonyms
861629-35-82((4allyl5(4chlorophenyl)4H124triazol3yl)thio)N(24dimethoxyphenyl)acetamide
2((5(4chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(24dimethoxyphenyl)acetamide
2((5(4CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(24DIMETHOXYPHENYL)ACETAMIDE
861629358
COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)OC
InChI=1SC21H21ClN4O3Sc14112620(145715(22)8614)242521(26)301319(27)231710916(282)1218(17)293h41012H11113H223H3(H2327)
MFCD05525383
ZINC000009478272
ZINC09478272
ZINC9478272
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