Vitas-M small molecule compound

tetraethyl 5',5',8'-trimethyl-6'-[(2E)-3-phenylprop-2-enoyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK017166
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)/C=C/c1ccccc1)SC(=C(S2)C(=O)OCC)C(=O)OCC

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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 C38H39NO9S3 MW 749.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39NO9S3/c1-8-45-33(41)28-29(34(42)46-9-2)49-32-27(38(28)50-30(35(43)47-10-3)31(51-38)36(44)48-11-4)24-19-17-22(5)21-25(24)39(37(32,6)7)26(40)20-18-23-15-13-12-14-16-23/h12-21H,8-11H2,1-7H3/b20-18+
InChIKey
GAXVZLGAQLNIKS-CZIZESTLSA-N
Synonyms

CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)C=Cc1ccccc1)SC(=C(S2)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=C(C=C4)C)N(C2(C)C)C(=O)C=CC5=CC=CC=C5)C(=O)OCC
InChI=1SC38H39NO9S3c184533(41)2829(34(42)4692)493227(38(28)5030(35(43)47103)31(5138)36(44)48114)24191722(5)2125(24)39(37(326)7)26(40)201823151312141623h1221H811H217H3b2018+
MFCD01859093
STK017166
tetraethyl558trimethyl6((2E)3phenylprop2enoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl558trimethyl6((E)3phenylprop2enoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6cinnamoyl558trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097957965
ZINC97957965

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.