Vitas-M small molecule compound
dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK043578
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CCC2CCCCC2)/S1)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 C28H33NO5S3 MW 559.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO5S3/c1-16-11-13-19-18(15-16)21(27-36-22(25(31)33-4)23(37-27)26(32)34-5)24(35)28(2,3)29(19)20(30)14-12-17-9-7-6-8-10-17/h11,13,15,17H,6-10,12,14H2,1-5H3InChIKey
VPODNQJVEHOLKJ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CCC4CCCCC4
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CCC2CCCCC2)S1)C(=O)OC
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H33NO5S3c11611131918(1516)21(273622(25(31)334)23(3727)26(32)345)24(35)28(23)29(19)20(30)14121797681017h11131517H6101214H215H3
METHYL2(1(3CYCLOHEXYLPROPANOYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01559420
STK043578
ZINC000098050653
ZINC98050653
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.