Vitas-M small molecule compound
2-{[(5-chloro-2-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK291018
SMILES O=C1C2C3C=CC(C2C(=O)N1CNc1cc(Cl)ccc1C)C3
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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 C17H17ClN2O2 MW 316.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O2/c1-9-2-5-12(18)7-13(9)19-8-20-16(21)14-10-3-4-11(6-10)15(14)17(20)22/h2-5,7,10-11,14-15,19H,6,8H2,1H3InChIKey
MMIGDHZRWZNCGF-UHFFFAOYSA-NSynonyms
2(((5chloro2methylphenyl)amino)methyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C=C(C=C1)Cl)NCN2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC17H17ClN2O2c192512(18)713(9)1982016(21)14103411(610)15(14)17(20)22h2571011141519H68H21H3
MFCD08097613
ZINC000102509874
ZINC000239159625
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