Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK359321
SMILES O=C1N(c2cccc(c2)C(=O)OCC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C2C1C2
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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 C26H20N2O7 MW 472.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O7/c29-21(13-3-1-6-16(9-13)28(33)34)12-35-26(32)14-4-2-5-15(10-14)27-24(30)22-17-7-8-18(20-11-19(17)20)23(22)25(27)31/h1-10,17-20,22-23H,11-12H2InChIKey
XCHFDBDMOSTNOI-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)OCC(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC26H20N2O7c2921(1331616(913)28(33)34)123526(32)1442515(1014)2724(30)22177818(201119(17)20)23(22)25(27)31h11017202223H1112H2
MFCD02314585
O=C1N(c2cccc(c2)C(=O)OCC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C2C1C2
ZINC000239433018
ZINC000239433021
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