Vitas-M small molecule compound

ethyl 8,10-dimethyl-2,6-bis(4-methyl-3-nitrophenyl)-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate

Catalog ID
STL168513
SMILES CCOC(=O)C1=C(C)C2C3C(C1(C)C1C2C(=O)N(C1=O)c1ccc(c(c1)[N+](=O)[O-])C)C(=O)N(C3=O)c1ccc(c(c1)[N+](=O)[O-])C

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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 C31H28N4O10 MW 616.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O10/c1-6-45-30(40)23-15(4)20-21-24(28(38)32(26(21)36)16-9-7-13(2)18(11-16)34(41)42)31(23,5)25-22(20)27(37)33(29(25)39)17-10-8-14(3)19(12-17)35(43)44/h7-12,20-22,24-25H,6H2,1-5H3
InChIKey
IJLFQOBZQZOIQU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)C2C3C(C1(C)C1C2C(=O)N(C1=O)c1ccc(c(c1)(N+)(=O)(O))C)C(=O)N(C3=O)c1ccc(c(c1)(N+)(=O)(O))C
CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)N(C4=O)C5=CC(=C(C=C5)C)(N+)(=O)(O))C)C(=O)N(C3=O)C6=CC(=C(C=C6)C)(N+)(=O)(O))C
ethyl810dimethyl26bis(4methyl3nitrophenyl)1357tetraoxododecahydro48ethenopyrrolo(34f)isoindole9carboxylate
InChI=1SC31H28N4O10c164530(40)2315(4)202124(28(38)32(26(21)36)169713(2)18(1116)34(41)42)31(235)2522(20)27(37)33(29(25)39)1710814(3)19(1217)35(43)44h71220222425H6H215H3
MFCD01593834
ZINC000245253583
ZINC000245253586

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.