Vitas-M small molecule compound
tetramethyl 7'-ethoxy-6'-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK025921
SMILES CCOc1cccc2c1N(C(=O)/C=C/c1ccc(cc1)OC)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 C36H35NO11S3 MW 753.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35NO11S3/c1-9-48-22-12-10-11-21-24-30(35(2,3)37(26(21)22)23(38)18-15-19-13-16-20(43-4)17-14-19)49-27(32(40)45-6)25(31(39)44-5)36(24)50-28(33(41)46-7)29(51-36)34(42)47-8/h10-18H,9H2,1-8H3/b18-15+InChIKey
RINHUYJPDWCWMJ-OBGWFSINSA-NSynonyms
350994-83-1(E)tetramethyl7ethoxy6(3(4methoxyphenyl)acryloyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
350994831
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)C=CC5=CC=C(C=C5)OC
CCOc1cccc2c1N(C(=O)C=Cc1ccc(cc1)OC)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
InChI=1SC36H35NO11S3c194822121011212430(35(23)37(26(21)22)23(38)181519131620(434)171419)4927(32(40)456)25(31(39)445)36(24)5028(33(41)467)29(5136)34(42)478h1018H9H218H3b1815+
MFCD01079443
STK025921
tetramethyl7ethoxy6((2E)3(4methoxyphenyl)prop2enoyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl7ethoxy6((E)3(4methoxyphenyl)prop2enoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097958094
ZINC97958094
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