Vitas-M small molecule compound
(2-chloro-4-{(1E)-2-cyano-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-1-yl}-6-ethoxyphenoxy)acetic acid
Catalog ID
STK180914
SMILES CCOc1cc(/C=C(/C(=O)NCC2CCCO2)\C#N)cc(c1OCC(=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 C19H21ClN2O6 MW 408.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O6/c1-2-26-16-8-12(7-15(20)18(16)28-11-17(23)24)6-13(9-21)19(25)22-10-14-4-3-5-27-14/h6-8,14H,2-5,10-11H2,1H3,(H,22,25)(H,23,24)/b13-6+InChIKey
QGKRUJYUXHMFCR-AWNIVKPZSA-NSynonyms
444093-18-9(2CHLORO4((1E)2CYANO3OXO3((TETRAHYDROFURAN2YLMETHYL)AMINO)PROP1EN1YL)6ETHOXYPHENOXY)ACETICACID
2(2CHLORO4((E)2CYANO3OXO3(OXOLAN2YLMETHYLAMINO)PROP1ENYL)6ETHOXYPHENOXY)ACETICACID
2(4((1E)2CYANO2(N(OXOLAN2YLMETHYL)CARBAMOYL)VINYL)2CHLORO6ETHOXYPHENOXY)ACETICACID
444093189
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2CCCO2)Cl)OCC(=O)O
CCOc1cc(C=C(C(=O)NCC2CCCO2)C#N)cc(c1OCC(=O)O)Cl
InChI=1SC19H21ClN2O6c122616812(715(20)18(16)281117(23)24)613(921)19(25)2210144352714h6814H251011H21H3(H2225)(H2324)b136+
MFCD03181772
ZINC000002807700
ZINC000002807702
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