Vitas-M small molecule compound
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)-2-nitrophenyl acetate
Catalog ID
STL384067
SMILES CC(=O)Oc1ccc(cc1[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 C19H16N2O6 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O6/c1-9(22)27-14-5-2-10(8-13(14)21(25)26)20-17(23)15-11-3-4-12(16(15)18(20)24)19(11)6-7-19/h2-5,8,11-12,15-16H,6-7H2,1H3InChIKey
KJIHZFWTKWJZAM-UHFFFAOYSA-NSynonyms
4((3AR4S7R7AS)13DIOXO133A477AHEXAHYDRO2HSPIRO(2AZA47METHANOISOINDOLE81CYCLOPROPAN)2YL)2NITROPHENYLACETATE
4(13dioxo133a477ahexahydro2Hspiro(2aza47methanoisoindole81cyclopropan)2yl)2nitrophenylacetate
CC(=O)OC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1(N+)(=O)(O))N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3
InChI=1SC19H16N2O6c19(22)27145210(813(14)21(25)26)2017(23)15113412(16(15)18(20)24)19(11)6719h25811121516H67H21H3
MFCD03713963
ZINC000101418425
ZINC000101418429
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