Vitas-M small molecule compound

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

Catalog ID
STK076213
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)c1ccccc1)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 C31H27NO9S3 MW 653.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO9S3/c1-30(2)24-19(17-14-10-11-15-18(17)32(30)25(33)16-12-8-7-9-13-16)31(20(26(34)38-3)21(42-24)27(35)39-4)43-22(28(36)40-5)23(44-31)29(37)41-6/h7-15H,1-6H3
InChIKey
CDCNLXMCXFJFMF-UHFFFAOYSA-N
Synonyms

CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=CC=C4)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)c1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC31H27NO9S3c130(2)2419(171410111518(17)32(30)25(33)16128791316)31(20(26(34)383)21(4224)27(35)394)4322(28(36)405)23(4431)29(37)416h715H16H3
MFCD00521282
STK076213
tetramethyl55dimethyl6(phenylcarbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzoyl55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzoyl55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008398567
ZINC08398567
ZINC8398567

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Available files

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