Vitas-M small molecule compound

tetraethyl 6'-butanoyl-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK047722
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)CCC)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 C32H37NO9S3 MW 675.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO9S3/c1-8-15-20(34)33-19-17-14-13-16-18(19)21-26(31(33,6)7)43-23(28(36)40-10-3)22(27(35)39-9-2)32(21)44-24(29(37)41-11-4)25(45-32)30(38)42-12-5/h13-14,16-17H,8-12,15H2,1-7H3
InChIKey
IDMJSRSTEYQOTQ-UHFFFAOYSA-N
Synonyms

CCCC(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)CCC)SC(=C(S2)C(=O)OCC)C(=O)OCC
InChI=1SC32H37NO9S3c181520(34)33191714131618(19)2126(31(336)7)4323(28(36)40103)22(27(35)3992)32(21)4424(29(37)41114)25(4532)30(38)42125h13141617H81215H217H3
MFCD01156137
STK047722
tetraethyl6butanoyl55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6butanoyl55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6butyryl55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425728
ZINC08425728
ZINC8425728

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Available files

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