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Vitas-M small molecule compound

dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK059617
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2ccc(c3)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/c1-16-11-13-18-19(15-16)29(20(30)14-12-17-9-7-6-8-10-17)28(2,3)24(35)21(18)27-36-22(25(31)33-4)23(37-27)26(32)34-5/h11,13,15,17H,6-10,12,14H2,1-5H3
InChIKey
DQGRGQGDFFVJEW-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CCC4CCCCC4)(C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)CCC2CCCCC2)S1)C(=O)OC
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H33NO5S3c11611131819(1516)29(20(30)14121797681017)28(23)24(35)21(18)273622(25(31)334)23(3727)26(32)345h11131517H6101214H215H3
METHYL2(1(3CYCLOHEXYLPROPANOYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01564267
STK059617
ZINC000008440694
ZINC08440694
ZINC8440694

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Available files

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