Vitas-M small molecule compound
4,5,6,7,8,8-hexachloro-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK024505
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl
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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 C15H6Cl6N2O4 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H6Cl6N2O4/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)22(12(8)25)5-1-3-6(4-2-5)23(26)27/h1-4,7-8HInChIKey
ODVRZVCAYOWQQD-UHFFFAOYSA-NSynonyms
456788hexachloro2(4nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1=CC(=CC=C1N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)(N+)(=O)(O)
InChI=1SC15H6Cl6N2O4c16910(17)14(19)87(13(918)15(1420)21)11(24)22(12(8)25)5136(425)23(26)27h1478H
MFCD00354648
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl
STK024505
ZINC000225925247
ZINC000225925283
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