Vitas-M small molecule compound
tetramethyl 7'-ethoxy-5',5'-dimethyl-6'-(phenoxyacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789082
SMILES CCOc1cccc2c1N(C(=O)COc1ccccc1)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(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 C34H33NO11S3 MW 727.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33NO11S3/c1-8-45-20-16-12-15-19-22-28(33(2,3)35(24(19)20)21(36)17-46-18-13-10-9-11-14-18)47-25(30(38)42-5)23(29(37)41-4)34(22)48-26(31(39)43-6)27(49-34)32(40)44-7/h9-16H,8,17H2,1-7H3InChIKey
SBZHBSSZEGIPKT-UHFFFAOYSA-NSynonyms
CCOC1=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)COC5=CC=CC=C5
CCOc1cccc2c1N(C(=O)COc1ccccc1)C(C1=C2(C@@)2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
InChI=1SC34H33NO11S3c184520161215192228(33(23)35(24(19)20)21(36)17461813109111418)4725(30(38)425)23(29(37)414)34(22)4826(31(39)436)27(4934)32(40)447h916H817H217H3
MFCD00658082
tetramethyl7ethoxy55dimethyl6(2phenoxyacetyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl7ethoxy55dimethyl6(2phenoxyacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl7ethoxy55dimethyl6(phenoxyacetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008386599
ZINC08386599
ZINC8386599
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.