Vitas-M small molecule compound
methyl 2-chloro-5-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoate
Catalog ID
STL387192
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(OC2(C)C=C1)C
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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 C18H16ClNO5 MW 361.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO5/c1-17-6-7-18(2,25-17)13-12(17)14(21)20(15(13)22)9-4-5-11(19)10(8-9)16(23)24-3/h4-8,12-13H,1-3H3InChIKey
ATODAEUNOWKXRM-UHFFFAOYSA-NSynonyms
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)OC)C
InChI=1SC18H16ClNO5c1176718(22517)1312(17)14(21)20(15(13)22)94511(19)10(89)16(23)243h481213H13H3
methyl2chloro5(47dimethyl13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoate
methyl2chloro5(47dimethyl13dioxo3a7adihydrooctahydro1H47epoxyisoindol2yl)benzoate
MFCD01142136
ZINC000100179417
ZINC000169305846
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