Vitas-M small molecule compound
4,7-dimethyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STL387175
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1(C)C=CC2(O1)C
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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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c1-15-6-7-16(2,23-15)12-11(15)13(19)17(14(12)20)9-4-3-5-10(8-9)18(21)22/h3-8,11-12H,1-2H3InChIKey
YTEDFCBCFDCRDW-UHFFFAOYSA-NSynonyms
47dimethyl2(3nitrophenyl)3a477atetrahydro1H47epoxyisoindole13(2H)dione
47dimethyl2(3nitrophenyl)3a7adihydrooctahydro1H47epoxyisoindole13dione
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC16H14N2O5c1156716(22315)1211(15)13(19)17(14(12)20)943510(89)18(21)22h381112H12H3
MFCD01067474
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1(C)C=CC2(O1)C
ZINC000000432190
ZINC000101357353
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