Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
Catalog ID
STL330367
SMILES O=C1C2C(C(=O)N1c1ccc(c(c1)[N+](=O)[O-])Cl)C1CC(=O)C2c2c1cccc2
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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 C20H13ClN2O5 MW 396.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN2O5/c21-13-6-5-9(7-14(13)23(27)28)22-19(25)17-12-8-15(24)16(18(17)20(22)26)11-4-2-1-3-10(11)12/h1-7,12,16-18H,8H2InChIKey
ZXEWWXJSZFWEBU-UHFFFAOYSA-NSynonyms
(3aS4R9S9aR)2(4chloro3nitrophenyl)3a499atetrahydro1H49ethanobenzo(f)isoindole1310(2H)trione
2(4chloro3nitrophenyl)3a499atetrahydro1H49ethanobenzo(f)isoindole1310(2H)trione
C1C2C3C(C(C1=O)C4=CC=CC=C24)C(=O)N(C3=O)C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
InChI=1SC20H13ClN2O5c2113659(714(13)23(27)28)2219(25)1712815(24)16(18(17)20(22)26)11421310(11)12h17121618H8H2
MFCD02954967
O=C1C2C(C(=O)N1c1ccc(c(c1)(N+)(=O)(O))Cl)C1CC(=O)C2c2c1cccc2
ZINC000100788697
ZINC000245240537
Check stock
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