Vitas-M small molecule compound
1-{1-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-4-[4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone
Catalog ID
STK513032
SMILES COc1ccccc1C1N(c2ccc(cc2)N2CCCC2)C(=NN1c1ccc(c(c1)Cl)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 C27H26Cl2N4O2 MW 509.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N4O2/c1-18(34)26-30-33(21-13-14-23(28)24(29)17-21)27(22-7-3-4-8-25(22)35-2)32(26)20-11-9-19(10-12-20)31-15-5-6-16-31/h3-4,7-14,17,27H,5-6,15-16H2,1-2H3InChIKey
CRVNOGDZXQHCFK-UHFFFAOYSA-NSynonyms
1(1(34DICHLOROPHENYL)5(2METHOXYPHENYL)4(4(1PYRROLIDINYL)PHENYL)45DIHYDRO1H124TRIAZOL3YL)ETHANONE
1(1(34dichlorophenyl)5(2methoxyphenyl)4(4(pyrrolidin1yl)phenyl)45dihydro1H124triazol3yl)ethanone
1(2(34DICHLOROPHENYL)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)Cl
InChI=1SC27H26Cl2N4O2c118(34)263033(21131423(28)24(29)1721)27(22734825(22)352)32(26)2011919(101220)3115561631h347141727H561516H212H3
MFCD04090196
ZINC000002177869
ZINC000002177870
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