Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STL495486
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])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 C17H16N2O4 MW 312.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4/c1-9-2-7-12(8-13(9)19(22)23)18-16(20)14-10-3-4-11(6-5-10)15(14)17(18)21/h2-4,7-8,10-11,14-15H,5-6H2,1H3InChIKey
FUMNLCOHMGSPJE-UHFFFAOYSA-NSynonyms
2(4methyl3nitrophenyl)3a477atetrahydro1H47ethanoisoindole13(2H)dione
CC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4)(N+)(=O)(O)
InChI=1SC17H16N2O4c192712(813(9)19(22)23)1816(20)14103411(6510)15(14)17(18)21h247810111415H56H21H3
MFCD00750664
O=C1N(c2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1CCC2C=C1
ZINC000100522369
ZINC000101115649
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