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Vitas-M small molecule compound

tetramethyl 6'-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK508575
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)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/c1-18-14-15-20-23(16-18)41(24(42)17-40-32(43)21-12-8-10-19-11-9-13-22(25(19)21)33(40)44)38(2,3)31-26(20)39(27(34(45)49-4)28(53-31)35(46)50-5)54-29(36(47)51-6)30(55-39)37(48)52-7/h8-16H,17H2,1-7H3
InChIKey
KYPQHYQVKYFHIU-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)(C)C)SC(=C(C37SC(=C(S7)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC39H32N2O11S3c11814152023(1618)41(24(42)174032(43)2112810191191322(25(19)21)33(40)44)38(23)3126(20)39(27(34(45)494)28(5331)35(46)505)5429(36(47)516)30(5539)37(48)527h816H17H217H3
MFCD01137996
tetramethyl6((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)558trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)558trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxobenzo(de)isoquinolin2yl)acetyl)558trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098048823
ZINC98048823

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Available files

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