Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK728845
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1C1C=CC2C21CC2
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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 C17H13ClN2O4 MW 344.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O4/c18-11-4-1-8(7-12(11)20(23)24)19-15(21)13-9-2-3-10(14(13)16(19)22)17(9)5-6-17/h1-4,7,9-10,13-14H,5-6H2InChIKey
HKVODJLKOYCOLK-UHFFFAOYSA-NSynonyms
1008031-86-4(3aR4R7S7aS)2(4chloro3nitrophenyl)3a477atetrahydro1Hspiro(47methanoisoindole81cyclopropane)13(2H)dione
1008031864
2(4chloro3nitrophenyl)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
C1CC12C3C=CC2C4C3C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
InChI=1SC17H13ClN2O4c1811418(712(11)20(23)24)1915(21)1392310(14(13)16(19)22)17(9)5617h1479101314H56H2
MFCD03670511
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)C2C1C1C=CC2C21CC2
ZINC000239309361
ZINC000239309363
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