Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK543439
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1C1C=CC2C1=C1CCCCC1
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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 C21H19ClN2O4 MW 398.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O4/c22-15-9-6-12(10-16(15)24(27)28)23-20(25)18-13-7-8-14(19(18)21(23)26)17(13)11-4-2-1-3-5-11/h6-10,13-14,18-19H,1-5H2InChIKey
FWGWCUQORXOSII-UHFFFAOYSA-NSynonyms
1005090-30-1(3aR4R7S7aS)2(4chloro3nitrophenyl)8cyclohexylidene3a477atetrahydro1H47methanoisoindole13(2H)dione
1005090301
2(4chloro3nitrophenyl)8cyclohexylidene3a477atetrahydro1H47methanoisoindole13(2H)dione
C1CCC(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)(N+)(=O)(O))CC1
InChI=1SC21H19ClN2O4c22159612(1016(15)24(27)28)2320(25)18137814(19(18)21(23)26)17(13)114213511h61013141819H15H2
MFCD03286119
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)C2C1C1C=CC2C1=C1CCCCC1
ZINC000141677850
ZINC000245325575
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