Vitas-M small molecule compound
N-{4,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl}-3-methylbutanamide
Catalog ID
STK633490
SMILES C=CCn1c(C)c(c(c1NC(=O)CC(C)C)S(=O)(=O)c1ccc(cc1)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 C21H28N2O3S MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3S/c1-7-12-23-17(6)16(5)20(21(23)22-19(24)13-14(2)3)27(25,26)18-10-8-15(4)9-11-18/h7-11,14H,1,12-13H2,2-6H3,(H,22,24)InChIKey
TURPYKREQAWYAO-UHFFFAOYSA-NSynonyms
951991-17-6951991176
CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC=C)NC(=O)CC(C)C
InChI=1SC21H28N2O3Sc17122317(6)16(5)20(21(23)2219(24)1314(2)3)27(2526)1810815(4)91118h71114H11213H226H3(H2224)
MFCD09853998
N(1allyl45dimethyl3tosyl1Hpyrrol2yl)3methylbutanamide
N(45dimethyl3((4methylphenyl)sulfonyl)1(prop2en1yl)1Hpyrrol2yl)3methylbutanamide
N(45dimethyl3(4methylphenyl)sulfonyl1prop2enylpyrrol2yl)3methylbutanamide
ZINC000013693191
ZINC13693191
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