Vitas-M small molecule compound

dimethyl 2-[9-ethoxy-5,5-dimethyl-3-(4-methylphenyl)-1-oxo-6-thioxo-2,3,5,6-tetrahydro-1H,7H-pyrido[3,2,1-ij]quinazolin-7-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STL590226
SMILES CCOc1cc2/C(=C/3\SC(=C(S3)C(=O)OC)C(=O)OC)/C(=S)C(N3c2c(c1)C(=O)NC3c1ccc(cc1)C)(C)C

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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 C29H28N2O6S3 MW 596.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6S3/c1-7-37-16-12-17-19(28-39-21(26(33)35-5)22(40-28)27(34)36-6)23(38)29(3,4)31-20(17)18(13-16)25(32)30-24(31)15-10-8-14(2)9-11-15/h8-13,24H,7H2,1-6H3,(H,30,32)
InChIKey
CCORXHDBAGAARX-UHFFFAOYSA-N
Synonyms

dimethyl2(9ethoxy55dimethyl3(4methylphenyl)1oxo6thioxo2356tetrahydro1H7Hpyrido(321ij)quinazolin7ylidene)13dithiole45dicarboxylate
InChI=1SC29H28N2O6S3c173716121719(283921(26(33)355)22(4028)27(34)366)23(38)29(34)3120(17)18(1316)25(32)3024(31)1510814(2)91115h81324H7H216H3(H3032)

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Available files

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