Vitas-M small molecule compound
1-{1-(4-chlorophenyl)-5-(2-methoxyphenyl)-4-[4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone
Catalog ID
STK212315
SMILES COc1ccccc1C1N(c2ccc(cc2)N2CCCC2)C(=NN1c1ccc(cc1)Cl)C(=O)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 C27H27ClN4O2 MW 474.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN4O2/c1-19(33)26-29-32(23-11-9-20(28)10-12-23)27(24-7-3-4-8-25(24)34-2)31(26)22-15-13-21(14-16-22)30-17-5-6-18-30/h3-4,7-16,27H,5-6,17-18H2,1-2H3InChIKey
PGHLIMUYUSXGAJ-UHFFFAOYSA-NSynonyms
1(1(4CHLOROPHENYL)5(2METHOXYPHENYL)4(4(1PYRROLIDINYL)PHENYL)45DIHYDRO1H124TRIAZOL3YL)ETHANONE
1(1(4CHLOROPHENYL)5(2METHOXYPHENYL)4(4(PYRROLIDIN1YL)PHENYL)45DIHYDRO1H124TRIAZOL3YL)ETHANONE
1(2(4CHLOROPHENYL)3(2METHOXYPHENYL)4(4PYRROLIDIN1YLPHENYL)3H124TRIAZOL5YL)ETHANONE
CC(=O)C1=NN(C(N1C2=CC=C(C=C2)N3CCCC3)C4=CC=CC=C4OC)C5=CC=C(C=C5)Cl
InChI=1SC27H27ClN4O2c119(33)262932(2311920(28)101223)27(24734825(24)342)31(26)22151321(141622)3017561830h3471627H561718H212H3
MFCD03863949
ZINC000002177875
ZINC000002177876
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