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Vitas-M small molecule compound

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

Catalog ID
STK010353
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)Nc1ccccc1)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 C31H28N2O9S3 MW 668.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O9S3/c1-30(2)24-19(17-14-10-11-15-18(17)33(30)29(38)32-16-12-8-7-9-13-16)31(20(25(34)39-3)21(43-24)26(35)40-4)44-22(27(36)41-5)23(45-31)28(37)42-6/h7-15H,1-6H3,(H,32,38)
InChIKey
ZDNLZFUBNNEFTP-UHFFFAOYSA-N
Synonyms

CC1(C2=C(C3=CC=CC=C3N1C(=O)NC4=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)Nc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC31H28N2O9S3c130(2)2419(171410111518(17)33(30)29(38)3216128791316)31(20(25(34)393)21(4324)26(35)404)4422(27(36)415)23(4531)28(37)426h715H16H3(H3238)
MFCD03190517
STK010353
tetramethyl55dimethyl6(phenylcarbamoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(phenylcarbamoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(phenylcarbamoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999515
ZINC97999515

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Available files

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

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