Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
Catalog ID
STK275529
SMILES O=C(C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C)OCC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-10(22(28)31-9-17(25)11-3-2-4-12(7-11)24(29)30)23-20(26)18-13-5-6-14(16-8-15(13)16)19(18)21(23)27/h2-7,10,13-16,18-19H,8-9H2,1H3InChIKey
VTXMQJNWQJPTFV-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoate
CC(C(=O)OCC(=O)C1=CC(=CC=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC22H20N2O7c110(22(28)31917(25)1132412(711)24(29)30)2320(26)18135614(16815(13)16)19(18)21(23)27h271013161819H89H21H3
MFCD02916164
O=C(C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000239235331
ZINC000239235334
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