Vitas-M small molecule compound
3-{5-[(1E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}-2-methylbenzoic acid
Catalog ID
STK183043
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1C)C(=O)O)/C(=O)NC1CCCC1
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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 C21H20N2O4 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4/c1-13-17(7-4-8-18(13)21(25)26)19-10-9-16(27-19)11-14(12-22)20(24)23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6H2,1H3,(H,23,24)(H,25,26)/b14-11+InChIKey
VQYWFLGVOJSQEN-SDNWHVSQSA-NSynonyms
3(5((1E)2CYANO3(CYCLOPENTYLAMINO)3OXOPROP1EN1YL)FURAN2YL)2METHYLBENZOICACID
3(5((E)2CYANO3(CYCLOPENTYLAMINO)3OXOPROP1ENYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCCC3
InChI=1SC21H20N2O4c11317(74818(13)21(25)26)1910916(2719)1114(1222)20(24)2315523615h471115H2356H21H3(H2324)(H2526)b1411+
MFCD04277677
N#CC(=Cc1ccc(o1)c1cccc(c1C)C(=O)O)C(=O)NC1CCCC1
ZINC000004723186
ZINC4723186
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