Vitas-M small molecule compound
(2-chloro-4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-6-methoxyphenoxy)acetic acid
Catalog ID
STK280846
SMILES COc1cc(/C=N/N2C(=O)C3C(C2=O)C2CCC3C=C2)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 C20H19ClN2O6 MW 418.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O6/c1-28-14-7-10(6-13(21)18(14)29-9-15(24)25)8-22-23-19(26)16-11-2-3-12(5-4-11)17(16)20(23)27/h2-3,6-8,11-12,16-17H,4-5,9H2,1H3,(H,24,25)/b22-8+InChIKey
XGVOVZFIRCEVMS-GZIVZEMBSA-NSynonyms
(2chloro4((E)((13dioxo133a477ahexahydro2H47ethanoisoindol2yl)imino)methyl)6methoxyphenoxy)aceticacid
COC1=C(C(=CC(=C1)C=NN2C(=O)C3C4CCC(C3C2=O)C=C4)Cl)OCC(=O)O
COc1cc(C=NN2C(=O)C3C(C2=O)C2CCC3C=C2)cc(c1OCC(=O)O)Cl
InChI=1SC20H19ClN2O6c12814710(613(21)18(14)29915(24)25)8222319(26)16112312(5411)17(16)20(23)27h236811121617H459H21H3(H2425)b228+
MFCD04062458
ZINC000100237061
ZINC000105410499
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