Vitas-M small molecule compound
N-[4,5-dimethyl-3-(phenylsulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-nitrobenzamide
Catalog ID
STL226702
SMILES C=CCn1c(C)c(c(c1NC(=O)c1ccc(cc1)[N+](=O)[O-])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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-4-14-24-16(3)15(2)20(31(29,30)19-8-6-5-7-9-19)21(24)23-22(26)17-10-12-18(13-11-17)25(27)28/h4-13H,1,14H2,2-3H3,(H,23,26)InChIKey
HYCDVAOSSIWGCF-UHFFFAOYSA-NSynonyms
1010900-60-31010900603
C=CCn1c(C)c(c(c1NC(=O)c1ccc(cc1)(N+)(=O)(O))S(=O)(=O)c1ccccc1)C
CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))CC=C)C
InChI=1SC22H21N3O5Sc14142416(3)15(2)20(31(2930)198657919)21(24)2322(26)17101218(131117)25(27)28h413H114H223H3(H2326)
MFCD12204189
N(1allyl45dimethyl3(phenylsulfonyl)1Hpyrrol2yl)4nitrobenzamide
N(3(benzenesulfonyl)45dimethyl1prop2enylpyrrol2yl)4nitrobenzamide
N(45dimethyl3(phenylsulfonyl)1(prop2en1yl)1Hpyrrol2yl)4nitrobenzamide
ZINC000012408544
ZINC12408544
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