Vitas-M small molecule compound
methyl 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK280920
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1CC2C=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 C17H14ClNO4 MW 331.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO4/c1-23-17(22)11-7-10(4-5-12(11)18)19-15(20)13-8-2-3-9(6-8)14(13)16(19)21/h2-5,7-9,13-14H,6H2,1H3InChIKey
QRRACPRDHXOKQN-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4)Cl
InChI=1SC17H14ClNO4c12317(22)11710(4512(11)18)1915(20)138239(68)14(13)16(19)21h25791314H6H21H3
methyl2chloro5(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD01142138
ZINC000100178741
ZINC000101143845
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