Vitas-M small molecule compound
2-(5-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK186380
SMILES N#C/C(=C/c1ccc(o1)c1ccccc1C(=O)O)/C(=O)Nc1ccc(cc1)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 C21H13ClN2O4 MW 392.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O4/c22-14-5-7-15(8-6-14)24-20(25)13(12-23)11-16-9-10-19(28-16)17-3-1-2-4-18(17)21(26)27/h1-11H,(H,24,25)(H,26,27)/b13-11-InChIKey
CLBBDIMRCRCVCM-QBFSEMIESA-NSynonyms
5908-50-9(Z)2(5(3((4chlorophenyl)amino)2cyano3oxoprop1en1yl)furan2yl)benzoicacid
2(5((1Z)2((4CHLOROPHENYL)CARBAMOYL)2CYANOETH1EN1YL)FURAN2YL)BENZOICACID
2(5((1Z)3((4CHLOROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
2(5((Z)3(4CHLOROANILINO)2CYANO3OXOPROP1ENYL)FURAN2YL)BENZOICACID
5908509
C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O
InChI=1SC21H13ClN2O4c22145715(8614)2420(25)13(1223)111691019(2816)17312418(17)21(26)27h111H(H2425)(H2627)b1311
MFCD01829633
N#CC(=Cc1ccc(o1)c1ccccc1C(=O)O)C(=O)Nc1ccc(cc1)Cl
ZINC000013785655
ZINC13785655
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