Vitas-M small molecule compound
2-(3-chloro-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK034348
SMILES O=C1N(c2ccc(c(c2)Cl)C)C(=O)C2C1C1CCC2C=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 C17H16ClNO2 MW 301.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClNO2/c1-9-2-7-12(8-13(9)18)19-16(20)14-10-3-4-11(6-5-10)15(14)17(19)21/h2-4,7-8,10-11,14-15H,5-6H2,1H3InChIKey
YYOKOHYQKWIPBT-UHFFFAOYSA-NSynonyms
(3AR4S7S7AS)2(3CHLORO4METHYLPHENYL)3A477ATETRAHYDRO1H47ETHANOISOINDOLE13(2H)DIONE
2(3CHLORO4METHYLPHENYL)3A477ATETRAHYDRO1H47ETHANOISOINDOLE13(2H)DIONE
CC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)Cl
InChI=1SC17H16ClNO2c192712(813(9)18)1916(20)14103411(6510)15(14)17(19)21h247810111415H56H21H3
MFCD01176544
O=C1N(c2ccc(c(c2)Cl)C)C(=O)C2C1C1CCC2C=C1
STK034348
ZINC000100559770
ZINC000101151910
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