Vitas-M small molecule compound
tetramethyl 9'-ethoxy-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
STK033282
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)CC(C)C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)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 C31H35NO10S3 MW 677.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO10S3/c1-10-42-16-11-12-18-17(14-16)20-25(30(4,5)32(18)19(33)13-15(2)3)43-22(27(35)39-7)21(26(34)38-6)31(20)44-23(28(36)40-8)24(45-31)29(37)41-9/h11-12,14-15H,10,13H2,1-9H3InChIKey
CCCCBLJIWHCABO-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(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)CC(C)C
CCOc1ccc2c(c1)C1=C(C(N2C(=O)CC(C)C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC31H35NO10S3c110421611121817(1416)2025(30(45)32(18)19(33)1315(2)3)4322(27(35)397)21(26(34)386)31(20)4423(28(36)408)24(4531)29(37)419h11121415H1013H219H3
MFCD01796166
STK033282
tetramethyl9ethoxy55dimethyl6(3methylbutanoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(3methylbutanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(3methylbutanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097949231
ZINC97949231
Check stock
See real-time availability and sample size for STK033282 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.