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Vitas-M small molecule compound

tetramethyl 5',5',7',9'-tetramethyl-6'-(phenylcarbonyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK074158
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1C)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 C33H31NO9S3 MW 681.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO9S3/c1-16-14-17(2)22-19(15-16)20-26(32(3,4)34(22)27(35)18-12-10-9-11-13-18)44-23(29(37)41-6)21(28(36)40-5)33(20)45-24(30(38)42-7)25(46-33)31(39)43-8/h9-15H,1-8H3
InChIKey
RGKLEXBNIMVFKZ-UHFFFAOYSA-N
Synonyms

CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)C4=CC=CC=C4)(C)C)SC(=C(C35SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1C)C(=O)c1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H31NO9S3c1161417(2)2219(1516)2026(32(34)34(22)27(35)1812109111318)4423(29(37)416)21(28(36)405)33(20)4524(30(38)427)25(4633)31(39)438h915H18H3
MFCD01156187
STK074158
tetramethyl5579tetramethyl6(phenylcarbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzoyl5579tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6benzoyl5579tetramethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425769
ZINC08425769
ZINC8425769

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Available files

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

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