Vitas-M small molecule compound
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK067814
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)Nc2ccccc2)/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 C26H24N2O6S3 MW 556.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S3/c1-26(2)21(35)18(24-36-19(22(29)33-4)20(37-24)23(30)34-5)16-13-15(32-3)11-12-17(16)28(26)25(31)27-14-9-7-6-8-10-14/h6-13H,1-5H3,(H,27,31)InChIKey
ISSVHXLUAGISIV-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)NC4=CC=CC=C4)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)Nc2ccccc2)S1)C(=O)OC
DIMETHYL2(6METHOXY22DIMETHYL1(PHENYLCARBAMOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6METHOXY22DIMETHYL1(PHENYLCARBAMOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC26H24N2O6S3c126(2)21(35)18(243619(22(29)334)20(3724)23(30)345)161315(323)111217(16)28(26)25(31)271497681014h613H15H3(H2731)
METHYL2(6METHOXY22DIMETHYL1(NPHENYLCARBAMOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02127803
STK067814
ZINC000100114811
ZINC100114811
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Check stock on Vitas-MAvailable files
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