Vitas-M small molecule compound
propan-2-yl {[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL049093
SMILES CC(OC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C)C
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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 C20H20ClN3O2S MW 401.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O2S/c1-13(2)26-18(25)12-27-20-23-22-19(15-6-4-5-14(3)11-15)24(20)17-9-7-16(21)8-10-17/h4-11,13H,12H2,1-3H3InChIKey
JKVQUTOJMACAQX-UHFFFAOYSA-NSynonyms
862118-50-11METHYLETHYL((4(4CHLOROPHENYL)5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETATE
862118501
CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)OC(C)C
InChI=1SC20H20ClN3O2Sc113(2)2618(25)122720232219(1564514(3)1115)24(20)179716(21)81017h41113H12H213H3
isopropyl2((4(4chlorophenyl)5(mtolyl)4H124triazol3yl)thio)acetate
METHYLETHYL2(4(4CHLOROPHENYL)5(3METHYLPHENYL)124TRIAZOL3YLTHIO)ACETATE
MFCD05687320
propan2yl((4(4chlorophenyl)5(3methylphenyl)4H124triazol3yl)sulfanyl)acetate
PROPAN2YL2((4(4CHLOROPHENYL)5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
PROPAN2YL2((4(4CHLOROPHENYL)5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETATE
ZINC000005485269
ZINC05485269
ZINC5485269
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