Vitas-M small molecule compound

tetraethyl 5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK084914
SMILES CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)ccc2NC1(C)C)C(=O)OCC)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 C29H33NO8S3 MW 619.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO8S3/c1-8-35-24(31)19-20(25(32)36-9-2)39-23-18(16-14-15(5)12-13-17(16)30-28(23,6)7)29(19)40-21(26(33)37-10-3)22(41-29)27(34)38-11-4/h12-14,30H,8-11H2,1-7H3
InChIKey
PIWYCAMGROPCDZ-UHFFFAOYSA-N
Synonyms
296272-61-2
296272612
CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)ccc2NC1(C)C)C(=O)OCC)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)C)NC2(C)C)C(=O)OCC
InChI=1SC29H33NO8S3c183524(31)1920(25(32)3692)392318(161415(5)121317(16)3028(236)7)29(19)4021(26(33)37103)22(4129)27(34)38114h121430H811H217H3
MFCD00521284
STK084914
tetraethyl559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl559trimethylspiro(13dithiole216Hthiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008398571
ZINC08398571
ZINC8398571

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Available files

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