Vitas-M small molecule compound
2-chloro-4-(5-{(1E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK185296
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)/C(=O)Nc1cccc(c1)C
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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/c1-13-3-2-4-16(9-13)25-21(26)15(12-24)10-17-6-8-20(29-17)14-5-7-18(22(27)28)19(23)11-14/h2-11H,1H3,(H,25,26)(H,27,28)/b15-10+InChIKey
WHJRXLKKUKRDFR-XNTDXEJSSA-NSynonyms
2CHLORO4(5((1E)2CYANO3((3METHYLPHENYL)AMINO)3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
2CHLORO4(5((E)2CYANO3(3METHYLANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C#N
InChI=1SC22H15ClN2O4c11332416(913)2521(26)15(1224)10176820(2917)145718(22(27)28)19(23)1114h211H1H3(H2526)(H2728)b1510+
MFCD01829542
N#CC(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)C(=O)Nc1cccc(c1)C
ZINC000004723472
ZINC4723472
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