Vitas-M small molecule compound
2-(5-{(1E)-3-[(3-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK179476
SMILES N#C/C(=C\c1ccc(o1)c1ccccc1C(=O)O)/C(=O)Nc1cccc(c1C)Cl
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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 C22H15ClN2O4 MW 406.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4/c1-13-18(23)7-4-8-19(13)25-21(26)14(12-24)11-15-9-10-20(29-15)16-5-2-3-6-17(16)22(27)28/h2-11H,1H3,(H,25,26)(H,27,28)/b14-11+InChIKey
IBAYNJPPUPCZGE-SDNWHVSQSA-NSynonyms
(E)2(5(3((3chloro2methylphenyl)amino)2cyano3oxoprop1en1yl)furan2yl)benzoicacid
2(5((1E)3((3CHLORO2METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
2(5((E)3(3CHLORO2METHYLANILINO)2CYANO3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)O)C#N
InChI=1SC22H15ClN2O4c11318(23)74819(13)2521(26)14(1224)111591020(2915)16523617(16)22(27)28h211H1H3(H2526)(H2728)b1411+
MFCD02052416
N#CC(=Cc1ccc(o1)c1ccccc1C(=O)O)C(=O)Nc1cccc(c1C)Cl
ZINC000004704998
ZINC4704998
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