Vitas-M small molecule compound
tetramethyl 6'-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK075740
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)/C=C/c1ccc(c(c1)OC)OC)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 C36H35NO11S3 MW 753.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35NO11S3/c1-18-10-13-21-20(16-18)25-30(35(2,3)37(21)24(38)15-12-19-11-14-22(43-4)23(17-19)44-5)49-27(32(40)46-7)26(31(39)45-6)36(25)50-28(33(41)47-8)29(51-36)34(42)48-9/h10-17H,1-9H3/b15-12+InChIKey
ULMSLBFEAAYHOD-NTCAYCPXSA-NSynonyms
(E)tetramethyl6(3(34dimethoxyphenyl)acryloyl)559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
CC1=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)C=CC5=CC(=C(C=C5)OC)OC
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)C=Cc1ccc(c(c1)OC)OC)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC36H35NO11S3c11810132120(1618)2530(35(23)37(21)24(38)151219111422(434)23(1719)445)4927(32(40)467)26(31(39)456)36(25)5028(33(41)478)29(5136)34(42)489h1017H19H3b1512+
MFCD01137939
STK075740
tetramethyl6((2E)3(34dimethoxyphenyl)prop2enoyl)559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6((E)3(34dimethoxyphenyl)prop2enoyl)559trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425608
ZINC08425608
ZINC8425608
Check stock
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