Vitas-M small molecule compound
dimethyl 2-[2,2,6-trimethyl-1-(3-phenylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STL070927
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 C28H27NO5S3 MW 553.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5S3/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/h6-11,13,15H,12,14H2,1-5H3InChIKey
VNQKRRRKYUJJIT-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)CCC4=CC=CC=C4
DIMETHYL2(226TRIMETHYL1(3PHENYLPROPANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(226trimethyl1(3phenylpropanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H27NO5S3c11611131918(1516)21(273622(25(31)334)23(3727)26(32)345)24(35)28(23)29(19)20(30)14121797681017h6111315H1214H215H3
METHYL5(METHOXYCARBONYL)2(226TRIMETHYL1(3PHENYLPROPANOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD00521227
ZINC000008386247
ZINC08386247
ZINC8386247
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