Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
Catalog ID
STK359312
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCN1C(=O)C2C(C1=O)C1C=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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c25-17(11-2-1-3-12(8-11)24(29)30)10-31-18(26)6-7-23-21(27)19-13-4-5-14(16-9-15(13)16)20(19)22(23)28/h1-5,8,13-16,19-20H,6-7,9-10H2InChIKey
YQEBBBBNLBCPPY-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoate
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)OCC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC22H20N2O7c2517(1121312(811)24(29)30)103118(26)672321(27)19134514(16915(13)16)20(19)22(23)28h15813161920H67910H2
MFCD02314576
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
ZINC000239254670
ZINC000239254673
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