Vitas-M small molecule compound
methyl 3-{3-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK377619
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1)C(=O)OC)C)/C(=O)Nc1ccccc1
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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 C24H21N3O3 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3/c1-16-12-19(13-20(15-25)23(28)26-21-9-5-4-6-10-21)17(2)27(16)22-11-7-8-18(14-22)24(29)30-3/h4-14H,1-3H3,(H,26,28)/b20-13+InChIKey
FGXFOFLJJJHOTF-DEDYPNTBSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)NC3=CC=CC=C3
InChI=1SC24H21N3O3c1161219(1320(1525)23(28)262195461021)17(2)27(16)22117818(1422)24(29)303h414H13H3(H2628)b2013+
METHYL3(3((1E)2CYANO2(NPHENYLCARBAMOYL)VINYL)25DIMETHYLPYRROLYL)BENZOATE
methyl3(3((1E)2cyano3oxo3(phenylamino)prop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
METHYL3(3((E)3ANILINO2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD01824570
N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(=O)OC)C)C(=O)Nc1ccccc1
ZINC000001189829
ZINC01189829
ZINC1189829
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