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Vitas-M small molecule compound

tetramethyl 6'-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK003252
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)C(N1C(=O)c3c(C1=O)cccc3)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC

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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 C41H34N2O11S3 MW 826.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H34N2O11S3/c1-40(2)32-27(41(28(36(47)51-3)29(55-32)37(48)52-4)56-30(38(49)53-5)31(57-41)39(50)54-6)24-18-12-13-19-25(24)43(40)35(46)26(20-21-14-8-7-9-15-21)42-33(44)22-16-10-11-17-23(22)34(42)45/h7-19,26H,20H2,1-6H3
InChIKey
IKMPYYIBQIXZDS-UHFFFAOYSA-N
Synonyms

CC1(C2=C(C3=CC=CC=C3N1C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)C7(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S7)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)C(N1C(=O)c3c(C1=O)cccc3)Cc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC41H34N2O11S3c140(2)3227(41(28(36(47)513)29(5532)37(48)524)5630(38(49)535)31(5741)39(50)546)241812131925(24)43(40)35(46)26(2021148791521)4233(44)221610111723(22)34(42)45h71926H20H216H3
MFCD01171290
STK003252
tetramethyl6(2(13dioxo13dihydro2Hisoindol2yl)3phenylpropanoyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxoisoindol2yl)3phenylpropanoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxoisoindolin2yl)3phenylpropanoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150360280
ZINC000150360282

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Available files

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