Vitas-M small molecule compound

N-[1-butyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl]butanamide

Catalog ID
STK638338
SMILES CCCCn1c(C)c(c(c1NC(=O)CCC)S(=O)(=O)c1ccccc1)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 C20H28N2O3S MW 376.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O3S/c1-5-7-14-22-16(4)15(3)19(20(22)21-18(23)11-6-2)26(24,25)17-12-9-8-10-13-17/h8-10,12-13H,5-7,11,14H2,1-4H3,(H,21,23)
InChIKey
AIKLSPPXSQLALR-UHFFFAOYSA-N
Synonyms
1010891-04-9
1010891049
CCCCN1C(=C(C(=C1NC(=O)CCC)S(=O)(=O)C2=CC=CC=C2)C)C
InChI=1SC20H28N2O3Sc157142216(4)15(3)19(20(22)2118(23)1162)26(2425)171298101317h8101213H571114H214H3(H2123)
MFCD12201926
N(1butyl45dimethyl3(phenylsulfonyl)1Hpyrrol2yl)butanamide
N(1butyl45dimethyl3(phenylsulfonyl)1Hpyrrol2yl)butyramide
N(3(benzenesulfonyl)1butyl45dimethylpyrrol2yl)butanamide
ZINC000012390322
ZINC12390322

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.