Vitas-M small molecule compound
3-[(2-chloro-4-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-6-ethoxyphenoxy)methyl]benzoic acid
Catalog ID
STK183016
SMILES CCOc1cc(/C=C(/C(=O)NCc2ccco2)\C#N)cc(c1OCc1cccc(c1)C(=O)O)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 C25H21ClN2O6 MW 480.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O6/c1-2-32-22-12-17(10-19(13-27)24(29)28-14-20-7-4-8-33-20)11-21(26)23(22)34-15-16-5-3-6-18(9-16)25(30)31/h3-12H,2,14-15H2,1H3,(H,28,29)(H,30,31)/b19-10+InChIKey
CLHBZMDUHMRUAU-VXLYETTFSA-NSynonyms
3((2CHLORO4((1E)2CYANO3((FURAN2YLMETHYL)AMINO)3OXOPROP1EN1YL)6ETHOXYPHENOXY)METHYL)BENZOICACID
3((2CHLORO4((E)2CYANO3(FURAN2YLMETHYLAMINO)3OXOPROP1ENYL)6ETHOXYPHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)Cl)OCC3=CC=CC(=C3)C(=O)O
CCOc1cc(C=C(C(=O)NCc2ccco2)C#N)cc(c1OCc1cccc(c1)C(=O)O)Cl
InChI=1SC25H21ClN2O6c1232221217(1019(1327)24(29)2814207483320)1121(26)23(22)34151653618(916)25(30)31h312H21415H21H3(H2829)(H3031)b1910+
MFCD04374406
ZINC000003971270
ZINC3971270
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