Vitas-M small molecule compound
2-(2-methyl-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK709999
SMILES O=C1C2C(C(=O)N1c1cc(ccc1C)[N+](=O)[O-])C1C3(C2C=C1)CC3
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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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c1-9-2-3-10(20(23)24)8-13(9)19-16(21)14-11-4-5-12(15(14)17(19)22)18(11)6-7-18/h2-5,8,11-12,14-15H,6-7H2,1H3InChIKey
XTOIUIXMPLPZLM-UHFFFAOYSA-NSynonyms
2(2methyl5nitrophenyl)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)C45CC5
InChI=1SC18H16N2O4c192310(20(23)24)813(9)1916(21)14114512(15(14)17(19)22)18(11)6718h25811121415H67H21H3
MFCD00684616
O=C1C2C(C(=O)N1c1cc(ccc1C)(N+)(=O)(O))C1C3(C2C=C1)CC3
ZINC000101839083
ZINC000101839089
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