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Vitas-M small molecule compound

tetraethyl 9'-methoxy-6'-[(4-methoxyphenyl)carbonyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK138071
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)c1ccc(cc1)OC)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 C37H39NO11S3 MW 769.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39NO11S3/c1-9-46-32(40)26-27(33(41)47-10-2)50-30-25(37(26)51-28(34(42)48-11-3)29(52-37)35(43)49-12-4)23-19-22(45-8)17-18-24(23)38(36(30,5)6)31(39)20-13-15-21(44-7)16-14-20/h13-19H,9-12H2,1-8H3
InChIKey
GDRIEJRRHLUDGP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)OC)N(C2(C)C)C(=O)C5=CC=C(C=C5)OC)C(=O)OCC
InChI=1SC37H39NO11S3c194632(40)2627(33(41)47102)503025(37(26)5128(34(42)48113)29(5237)35(43)49124)231922(458)171824(23)38(36(305)6)31(39)20131521(447)161420h1319H912H218H3
MFCD01859117
tetraethyl9methoxy6((4methoxyphenyl)carbonyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl9methoxy6(4methoxybenzoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl9methoxy6(4methoxybenzoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999554
ZINC97999554

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Available files

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

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