Vitas-M small molecule compound
2-chloro-5-(5-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK506404
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)/C(=O)NCc1ccco1
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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 C20H13ClN2O5 MW 396.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN2O5/c21-17-5-3-12(9-16(17)20(25)26)18-6-4-14(28-18)8-13(10-22)19(24)23-11-15-2-1-7-27-15/h1-9H,11H2,(H,23,24)(H,25,26)/b13-8+InChIKey
JXZHZIUSFSDRIQ-MDWZMJQESA-NSynonyms
2chloro5(5((1E)2cyano3((furan2ylmethyl)amino)3oxoprop1en1yl)furan2yl)benzoicacid
2CHLORO5(5((E)2CYANO3(FURAN2YLMETHYLAMINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
5(5((1E)2CYANO2(N(2FURYLMETHYL)CARBAMOYL)VINYL)(2FURYL))2CHLOROBENZOICACID
C1=COC(=C1)CNC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N
InChI=1SC20H13ClN2O5c21175312(916(17)20(25)26)186414(2818)813(1022)19(24)2311152172715h19H11H2(H2324)(H2526)b138+
MFCD02195301
N#CC(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)C(=O)NCc1ccco1
ZINC000005061275
ZINC5061275
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