Vitas-M small molecule compound
4-(hydroxymethyl)-2-(4-methoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STL388192
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(OC2C=C1)CO
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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 C16H14N2O7 MW 346.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O7/c1-24-8-2-3-9(10(6-8)18(22)23)17-14(20)12-11-4-5-16(7-19,25-11)13(12)15(17)21/h2-6,11-13,19H,7H2,1H3InChIKey
PMUABOSFLCFYPJ-UHFFFAOYSA-NSynonyms
4(hydroxymethyl)2(4methoxy2nitrophenyl)3a477atetrahydro1H47epoxyisoindole13(2H)dione
7(hydroxymethyl)2(4methoxy2nitrophenyl)47adihydro3aHoctahydro1H47epoxyisoindole13dione
COC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CO)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(OC2C=C1)CO
InChI=1SC16H14N2O7c1248239(10(68)18(22)23)1714(20)12114516(7192511)13(12)15(17)21h26111319H7H21H3
MFCD01470372
ZINC000101198091
ZINC000101198100
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