Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK412001
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1C1C=CC2C1
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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 C15H11ClN2O4 MW 318.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11ClN2O4/c16-10-4-3-9(6-11(10)18(21)22)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h1-4,6-8,12-13H,5H2InChIKey
ZNGVWFJIYHCABA-UHFFFAOYSA-NSynonyms
2(4chloro3nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC15H11ClN2O4c1610439(611(10)18(21)22)1714(19)127128(57)13(12)15(17)20h14681213H5H2
MFCD01162750
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)C2C1C1C=CC2C1
ZINC000100556099
ZINC000239439168
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