Vitas-M small molecule compound
3-{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
STK182446
SMILES N#C/C(=C/c1cc(n(c1C)c1cccc(c1)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/c1-17-12-22(18(2)30(17)25-9-5-8-21(15-25)27(32)33)13-23(16-28)26(31)29-24-11-10-19-6-3-4-7-20(19)14-24/h3-15H,1-2H3,(H,29,31)(H,32,33)/b23-13-InChIKey
BVMCQGLLVYISIH-QRVIBDJDSA-NSynonyms
(Z)3(3(2cyano3(naphthalen2ylamino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoicacid
3(3((1Z)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
3(3((Z)2CYANO3(NAPHTHALEN2YLAMINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC4=CC=CC=C4C=C3
InChI=1SC27H21N3O3c1171222(18(2)30(17)2595821(1525)27(32)33)1323(1628)26(31)2924111019634720(19)1424h315H12H3(H2931)(H3233)b2313
MFCD01829589
N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(=O)O)C)C(=O)Nc1ccc2c(c1)cccc2
ZINC000013809821
ZINC13809821
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