Vitas-M small molecule compound

2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate

Catalog ID
STK388905
SMILES O=C(CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1[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 C27H21ClN2O8 MW 536.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O8/c28-19-2-1-3-20(30(35)36)25(19)38-14-6-4-13(5-7-14)21(31)12-37-22(32)11-29-26(33)23-15-8-9-16(18-10-17(15)18)24(23)27(29)34/h1-9,15-18,23-24H,10-12H2
InChIKey
PFJPBDXUNAEFCN-UHFFFAOYSA-N
Synonyms
1212330-73-8
1212330738
2(4(2chloro6nitrophenoxy)phenyl)2oxoethyl(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetate
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CC(=O)OCC(=O)C5=CC=C(C=C5)OC6=C(C=CC=C6Cl)(N+)(=O)(O)
InChI=1SC27H21ClN2O8c281921320(30(35)36)25(19)38146413(5714)21(31)123722(32)112926(33)23158916(181017(15)18)24(23)27(29)34h1915182324H1012H2
MFCD02314540
O=C(CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1(N+)(=O)(O)
ZINC000239174076
ZINC000239174079

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Available files

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