Vitas-M small molecule compound

methyl 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate

Catalog ID
STK280927
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1CCC2C=C1

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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 C18H16ClNO4 MW 345.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO4/c1-24-18(23)12-8-11(6-7-13(12)19)20-16(21)14-9-2-3-10(5-4-9)15(14)17(20)22/h2-3,6-10,14-15H,4-5H2,1H3
InChIKey
AUAYQCODRLOXOU-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)Cl
InChI=1SC18H16ClNO4c12418(23)12811(6713(12)19)2016(21)1492310(549)15(14)17(20)22h236101415H45H21H3
methyl2chloro5(13dioxo133a477ahexahydro2H47ethanoisoindol2yl)benzoate
MFCD01930491
ZINC000100178935
ZINC000101358008

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Available files

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