Vitas-M small molecule compound
tetramethyl 5',5',8',9'-tetramethyl-6'-[(naphthalen-2-yloxy)acetyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK131817
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)COc1ccc3c(c1)cccc3)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 C38H35NO10S3 MW 761.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35NO10S3/c1-19-15-24-25(16-20(19)2)39(26(40)18-49-23-14-13-21-11-9-10-12-22(21)17-23)37(3,4)32-27(24)38(28(33(41)45-5)29(50-32)34(42)46-6)51-30(35(43)47-7)31(52-38)36(44)48-8/h9-17H,18H2,1-8H3InChIKey
UGDHISGRPQWINP-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)COC4=CC5=CC=CC=C5C=C4)(C)C)SC(=C(C36SC(=C(S6)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI=1SC38H35NO10S3c119152425(1620(19)2)39(26(40)184923141321119101222(21)1723)37(34)3227(24)38(28(33(41)455)29(5032)34(42)466)5130(35(43)477)31(5238)36(44)488h917H18H218H3
MFCD01796146
tetramethyl5589tetramethyl6((naphthalen2yloxy)acetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethyl6(2(naphthalen2yloxy)acetyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethyl6(2naphthalen2yloxyacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999416
ZINC97999416
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.