Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK359330
SMILES O=C1C2C3C=CC(C2C(=O)N1c1ccccc1C(=O)OCC(=O)c1cccc(c1)[N+](=O)[O-])C1C3C1
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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(13-4-3-5-14(10-13)28(33)34)12-35-26(32)17-6-1-2-7-20(17)27-24(30)22-15-8-9-16(19-11-18(15)19)23(22)25(27)31/h1-10,15-16,18-19,22-23H,11-12H2InChIKey
QDXSVDXSTOSPTG-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC=C5C(=O)OCC(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC26H20N2O7c2921(1343514(1013)28(33)34)123526(32)17612720(17)2724(30)22158916(191118(15)19)23(22)25(27)31h110151618192223H1112H2
MFCD02314594
O=C1C2C3C=CC(C2C(=O)N1c1ccccc1C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O))C1C3C1
ZINC000239174511
ZINC000239174514
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