Vitas-M small molecule compound
2-(3-bromo-4-methylphenyl)-4,7-dimethyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STL387152
SMILES O=C1N(c2ccc(c(c2)Br)C)C(=O)C2C1C1(C)C=CC2(O1)C
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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 C17H16BrNO3 MW 362.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO3/c1-9-4-5-10(8-11(9)18)19-14(20)12-13(15(19)21)17(3)7-6-16(12,2)22-17/h4-8,12-13H,1-3H3InChIKey
OJFMPPWHVHSAHE-UHFFFAOYSA-NSynonyms
2(3bromo4methylphenyl)47dimethyl3a477atetrahydro1H47epoxyisoindole13(2H)dione
2(3bromo4methylphenyl)47dimethyl3a7adihydrooctahydro1H47epoxyisoindole13dione
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4(C=CC3(O4)C)C)Br
InChI=1SC17H16BrNO3c194510(811(9)18)1914(20)1213(15(19)21)17(3)7616(122)2217h481213H13H3
MFCD00300313
ZINC000226627845
ZINC000226627858
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