Vitas-M small molecule compound
2-(4,5-dimethyl-2-nitrophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STL388144
SMILES O=C1N(c2cc(C)c(cc2[N+](=O)[O-])C)C(=O)C2C1C1C=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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-8-6-10(11(19(22)23)7-9(8)2)18-15(20)13-12-4-5-17(3,24-12)14(13)16(18)21/h4-7,12-14H,1-3H3InChIKey
AIHLFYMHGAYKML-UHFFFAOYSA-NSynonyms
2(45dimethyl2nitrophenyl)4methyl3a477atetrahydro1H47epoxyisoindole13(2H)dione
2(45dimethyl2nitrophenyl)7methyl47adihydro3aHoctahydro1H47epoxyisoindole13dione
CC1=CC(=C(C=C1C)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)(O4)C
InChI=1SC17H16N2O5c18610(11(19(22)23)79(8)2)1815(20)13124517(32412)14(13)16(18)21h471214H13H3
MFCD03141476
O=C1N(c2cc(C)c(cc2(N+)(=O)(O))C)C(=O)C2C1C1C=CC2(O1)C
ZINC000222240786
ZINC000243892530
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