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Vitas-M small molecule compound

tetramethyl 6'-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-5',5',7'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK508576
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1C)C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)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 C39H32N2O11S3 MW 800.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H32N2O11S3/c1-18-11-8-16-22-25-31(53-28(35(46)50-5)26(34(45)49-4)39(25)54-29(36(47)51-6)30(55-39)37(48)52-7)38(2,3)41(27(18)22)23(42)17-40-32(43)20-14-9-12-19-13-10-15-21(24(19)20)33(40)44/h8-16H,17H2,1-7H3
InChIKey
MDEWRUANDRHVGH-UHFFFAOYSA-N
Synonyms

CC1=CC=CC2=C1N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)CN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O
InChI=1SC39H32N2O11S3c11811816222531(5328(35(46)505)26(34(45)494)39(25)5429(36(47)516)30(5539)37(48)527)38(23)41(27(18)22)23(42)174032(43)20149121913101521(24(19)20)33(40)44h816H17H217H3
MFCD01137998
tetramethyl6((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)557trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)557trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxobenzo(de)isoquinolin2yl)acetyl)557trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150402601
ZINC150402601

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Available files

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