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tetraethyl 6'-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-8'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK395128
SMILES CCOc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)cccc3)C(C1=C2C2(SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=C(S1)C(=O)OCC)C(=O)OCC)(C)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 C39H40N2O10S5 MW 857.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H40N2O10S5/c1-8-47-21-17-18-22-24(19-21)41(26(42)20-52-37-40-23-15-13-14-16-25(23)53-37)38(6,7)32-27(22)39(28(33(43)48-9-2)29(54-32)34(44)49-10-3)55-30(35(45)50-11-4)31(56-39)36(46)51-12-5/h13-19H,8-12,20H2,1-7H3
InChIKey
YMLPZVXTRGTJJZ-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)C3=C(C(N2C(=O)CSC4=NC5=CC=CC=C5S4)(C)C)SC(=C(C36SC(=C(S6)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI=1SC39H40N2O10S5c18472117182224(1921)41(26(42)20523740231513141625(23)5337)38(67)3227(22)39(28(33(43)4892)29(5432)34(44)49103)5530(35(45)50114)31(5639)36(46)51125h1319H81220H217H3
MFCD01156112
tetraethyl6((13benzothiazol2ylsulfanyl)acetyl)8ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6(2(13benzothiazol2ylsulfanyl)acetyl)8ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6(2(benzo(d)thiazol2ylthio)acetyl)8ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150386760
ZINC150386760

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Available files

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

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