Vitas-M small molecule compound
(2-chloro-4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}-6-methoxyphenoxy)acetic acid
Catalog ID
STK389021
SMILES COc1cc(/C=N/N2C(=O)C3C(C2=O)C2CC3C=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 C19H17ClN2O6 MW 404.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O6/c1-27-13-5-9(4-12(20)17(13)28-8-14(23)24)7-21-22-18(25)15-10-2-3-11(6-10)16(15)19(22)26/h2-5,7,10-11,15-16H,6,8H2,1H3,(H,23,24)/b21-7+InChIKey
DEKOZJHYEARQFI-QPSGOUHRSA-NSynonyms
(2chloro4((E)((13dioxo133a477ahexahydro2H47methanoisoindol2yl)imino)methyl)6methoxyphenoxy)aceticacid
COC1=C(C(=CC(=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)Cl)OCC(=O)O
COc1cc(C=NN2C(=O)C3C(C2=O)C2CC3C=C2)cc(c1OCC(=O)O)Cl
InChI=1SC19H17ClN2O6c1271359(412(20)17(13)28814(23)24)7212218(25)15102311(610)16(15)19(22)26h25710111516H68H21H3(H2324)b217+
MFCD03713589
ZINC000101021211
ZINC000101892371
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