Vitas-M small molecule compound
2-(4-chloro-2-nitrophenyl)-8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK258079
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1C(=C(C)C)C2C=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 C18H15ClN2O4 MW 358.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN2O4/c1-8(2)14-10-4-5-11(14)16-15(10)17(22)20(18(16)23)12-6-3-9(19)7-13(12)21(24)25/h3-7,10-11,15-16H,1-2H3InChIKey
HGNVSTHRDNMEFZ-UHFFFAOYSA-NSynonyms
2(4chloro2nitrophenyl)8(propan2ylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)(N+)(=O)(O))C
Clc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1C(=C(C)C)C2C=C1
InChI=1SC18H15ClN2O4c18(2)14104511(14)1615(10)17(22)20(18(16)23)12639(19)713(12)21(24)25h3710111516H12H3
MFCD01802281
ZINC000100186921
ZINC000239309191
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