Vitas-M small molecule compound
2-(4-methoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK281003
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=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 C18H16N2O5 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5/c1-25-9-2-5-12(13(8-9)20(23)24)19-16(21)14-10-3-4-11(15(14)17(19)22)18(10)6-7-18/h2-5,8,10-11,14-15H,6-7H2,1H3InChIKey
AGGPMPNSBTYTCT-UHFFFAOYSA-NSynonyms
2(4methoxy2nitrophenyl)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
COC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
InChI=1SC18H16N2O5c12592512(13(89)20(23)24)1916(21)14103411(15(14)17(19)22)18(10)6718h25810111415H67H21H3
MFCD01304199
ZINC000101360034
ZINC000101360038
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