Vitas-M small molecule compound
4-(5-{(1E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)-3-methylbenzoic acid
Catalog ID
STK185165
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1C)C(=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 C22H15ClN2O4 MW 406.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN2O4/c1-13-10-14(22(27)28)2-8-19(13)20-9-7-18(29-20)11-15(12-24)21(26)25-17-5-3-16(23)4-6-17/h2-11H,1H3,(H,25,26)(H,27,28)/b15-11+InChIKey
BJYXEBLLOMWRBF-RVDMUPIBSA-NSynonyms
4(5((1E)3((4CHLOROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)FURAN2YL)3METHYLBENZOICACID
4(5((E)3(4CHLOROANILINO)2CYANO3OXOPROP1ENYL)FURAN2YL)3METHYLBENZOICACID
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl
InChI=1SC22H15ClN2O4c1131014(22(27)28)2819(13)209718(2920)1115(1224)21(26)25175316(23)4617h211H1H3(H2526)(H2728)b1511+
MFCD03181916
N#CC(=Cc1ccc(o1)c1ccc(cc1C)C(=O)O)C(=O)Nc1ccc(cc1)Cl
ZINC000001082994
ZINC1082994
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