Vitas-M small molecule compound
2-(2-bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK049819
SMILES Cc1ccc(c(c1)Br)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 C17H16BrNO2 MW 346.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO2/c1-9-2-7-13(12(18)8-9)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
FWJWXSXMILWCJL-UHFFFAOYSA-NSynonyms
2(2BROMO4METHYLPHENYL)3A477ATETRAHYDRO1H47ETHANOISOINDOLE13(2H)DIONE
CC1=CC(=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)Br
Cc1ccc(c(c1)Br)N1C(=O)C2C(C1=O)C1CCC2C=C1
InChI=1SC17H16BrNO2c192713(12(18)89)1916(20)14103411(6510)15(14)17(19)21h247810111415H56H21H3
MFCD01176547
STK049819
ZINC000100547949
ZINC000101849190
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