Vitas-M small molecule compound
2-(4,5-dimethyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK281863
SMILES O=C1C2C(C(=O)N1c1cc(C)c(cc1[N+](=O)[O-])C)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 C19H18N2O4 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4/c1-9-7-13(14(21(24)25)8-10(9)2)20-17(22)15-11-3-4-12(16(15)18(20)23)19(11)5-6-19/h3-4,7-8,11-12,15-16H,5-6H2,1-2H3InChIKey
ZNHRNLLNDSREKT-UHFFFAOYSA-NSynonyms
2(45dimethyl2nitrophenyl)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
CC1=CC(=C(C=C1C)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)C45CC5
InChI=1SC19H18N2O4c19713(14(21(24)25)810(9)2)2017(22)15113412(16(15)18(20)23)19(11)5619h347811121516H56H212H3
MFCD03141224
O=C1C2C(C(=O)N1c1cc(C)c(cc1(N+)(=O)(O))C)C1C3(C2C=C1)CC3
ZINC000101376675
ZINC000101376682
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