Vitas-M small molecule compound
4-{3-[(1Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK182445
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc(cc1)C(=O)O)C)/C(=O)Nc1ccc2c(c1)cccc2
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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 C27H21N3O3 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3/c1-17-13-22(18(2)30(17)25-11-8-20(9-12-25)27(32)33)14-23(16-28)26(31)29-24-10-7-19-5-3-4-6-21(19)15-24/h3-15H,1-2H3,(H,29,31)(H,32,33)/b23-14-InChIKey
AKGZMVNPXPGLNP-UCQKPKSFSA-NSynonyms
(Z)4(3(2cyano3(naphthalen2ylamino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoicacid
4(3((1Z)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
4(3((Z)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC4=CC=CC=C4C=C3
InChI=1SC27H21N3O3c1171322(18(2)30(17)2511820(91225)27(32)33)1423(1628)26(31)292410719534621(19)1524h315H12H3(H2931)(H3233)b2314
MFCD01829740
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C)C(=O)Nc1ccc2c(c1)cccc2
ZINC000002302932
ZINC2302932
Check stock
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