Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK423073
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1C1CCC2C1=C(C)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 C18H17ClN2O4 MW 360.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O4/c1-8(2)14-10-4-5-11(14)16-15(10)17(22)20(18(16)23)9-3-6-12(19)13(7-9)21(24)25/h3,6-7,10-11,15-16H,4-5H2,1-2H3InChIKey
QAFMTLZEDPNOCJ-UHFFFAOYSA-NSynonyms
2(4chloro3nitrophenyl)8(propan2ylidene)hexahydro1H47methanoisoindole13(2H)dione
CC(=C1C2CCC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C
InChI=1SC18H17ClN2O4c18(2)14104511(14)1615(10)17(22)20(18(16)23)93612(19)13(79)21(24)25h36710111516H45H212H3
MFCD02373536
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)C2C1C1CCC2C1=C(C)C
ZINC000102185292
ZINC000102610960
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