Vitas-M small molecule compound

tetramethyl 6'-(3-cyclohexylpropanoyl)-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK078547
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)CCC1CCCCC1)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 C33H37NO9S3 MW 687.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37NO9S3/c1-32(2)27-22(19-14-10-11-15-20(19)34(32)21(35)17-16-18-12-8-7-9-13-18)33(23(28(36)40-3)24(44-27)29(37)41-4)45-25(30(38)42-5)26(46-33)31(39)43-6/h10-11,14-15,18H,7-9,12-13,16-17H2,1-6H3
InChIKey
HMVFLJHSPNCOBU-UHFFFAOYSA-N
Synonyms

CC1(C2=C(C3=CC=CC=C3N1C(=O)CCC4CCCCC4)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)CCC1CCCCC1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H37NO9S3c132(2)2722(191410111520(19)34(32)21(35)171618128791318)33(23(28(36)403)24(4427)29(37)414)4525(30(38)425)26(4633)31(39)436h1011141518H7912131617H216H3
MFCD01560667
STK078547
tetramethyl6(3cyclohexylpropanoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3cyclohexylpropanoyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3cyclohexylpropanoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150354549
ZINC150354549

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Available files

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