Vitas-M small molecule compound

1-{5-(5-bromo-2-methoxyphenyl)-1-(4-methylphenyl)-4-[4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone

Catalog ID
STK510966
SMILES COc1ccc(cc1C1N(c2ccc(cc2)N2CCCC2)C(=NN1c1ccc(cc1)C)C(=O)C)Br

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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 C28H29BrN4O2 MW 533.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrN4O2/c1-19-6-9-24(10-7-19)33-28(25-18-21(29)8-15-26(25)35-3)32(27(30-33)20(2)34)23-13-11-22(12-14-23)31-16-4-5-17-31/h6-15,18,28H,4-5,16-17H2,1-3H3
InChIKey
ROANKEMSBJLKTO-UHFFFAOYSA-N
Synonyms

1(3(5BROMO2METHOXYPHENYL)2(4METHYLPHENYL)4(4PYRROLIDIN1YLPHENYL)3H124TRIAZOL5YL)ETHANONE
1(5(5BROMO2METHOXYPHENYL)1(4METHYLPHENYL)4(4(1PYRROLIDINYL)PHENYL)45DIHYDRO1H124TRIAZOL3YL)ETHANONE
1(5(5bromo2methoxyphenyl)1(4methylphenyl)4(4(pyrrolidin1yl)phenyl)45dihydro1H124triazol3yl)ethanone
CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC=C(C=C3)N4CCCC4)C5=C(C=CC(=C5)Br)OC
InChI=1SC28H29BrN4O2c1196924(10719)3328(251821(29)81526(25)353)32(27(3033)20(2)34)23131122(121423)3116451731h6151828H451617H213H3
MFCD04090197
ZINC000002177871
ZINC000002177872

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Available files

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