Vitas-M small molecule compound
tetraethyl 5',5'-dimethyl-6'-(3-methylbutanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK695777
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)CC(C)C)SC(=C(S2)C(=O)OCC)C(=O)OCC
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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 C33H39NO9S3 MW 689.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO9S3/c1-9-40-28(36)23-24(29(37)41-10-2)44-27-22(33(23)45-25(30(38)42-11-3)26(46-33)31(39)43-12-4)19-15-13-14-16-20(19)34(32(27,7)8)21(35)17-18(5)6/h13-16,18H,9-12,17H2,1-8H3InChIKey
CRTWPMMBTOCKHS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=CC=CC=C4N(C2(C)C)C(=O)CC(C)C)C(=O)OCC
InChI=1SC33H39NO9S3c194028(36)2324(29(37)41102)442722(33(23)4525(30(38)42113)26(4633)31(39)43124)191513141620(19)34(32(277)8)21(35)1718(5)6h131618H91217H218H3
MFCD01156139
tetraethyl55dimethyl6(3methylbutanoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl55dimethyl6(3methylbutanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl55dimethyl6(3methylbutanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098048859
ZINC98048859
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