Vitas-M small molecule compound
tetramethyl 9'-ethoxy-5',5'-dimethyl-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
STK028952
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)COc2ccc3c(c2)cccc3)(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 C38H35NO11S3 MW 777.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35NO11S3/c1-8-49-23-15-16-25-24(18-23)27-32(37(2,3)39(25)26(40)19-50-22-14-13-20-11-9-10-12-21(20)17-22)51-29(34(42)46-5)28(33(41)45-4)38(27)52-30(35(43)47-6)31(53-38)36(44)48-7/h9-18H,8,19H2,1-7H3InChIKey
WDWUIOVPYRBGLS-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)COC5=CC6=CC=CC=C6C=C5
CCOc1ccc2c(c1)C1=C(C(N2C(=O)COc2ccc3c(c2)cccc3)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC38H35NO11S3c18492315162524(1823)2732(37(23)39(25)26(40)195022141320119101221(20)1722)5129(34(42)465)28(33(41)454)38(27)5230(35(43)476)31(5338)36(44)487h918H819H217H3
MFCD01796147
STK028952
tetramethyl9ethoxy55dimethyl6((naphthalen2yloxy)acetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(2(naphthalen2yloxy)acetyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(2naphthalen2yloxyacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150353859
ZINC150353859
Check stock
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Check stock on Vitas-MAvailable files
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