Vitas-M small molecule compound
2-{[(4-bromo-2-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK291019
SMILES Brc1ccc(c(c1)C)NCN1C(=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 C17H17BrN2O2 MW 361.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN2O2/c1-9-6-12(18)4-5-13(9)19-8-20-16(21)14-10-2-3-11(7-10)15(14)17(20)22/h2-6,10-11,14-15,19H,7-8H2,1H3InChIKey
ONESEMAAZMRDSY-UHFFFAOYSA-NSynonyms
2(((4bromo2methylphenyl)amino)methyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C=CC(=C1)Br)NCN2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC17H17BrN2O2c19612(18)4513(9)1982016(21)14102311(710)15(14)17(20)22h261011141519H78H21H3
MFCD08097614
ZINC000101059719
ZINC000103082129
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