Vitas-M small molecule compound
dimethyl 2-(7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK870836
SMILES CCOc1ccc2c(c1)NC(C(=S)/C/2=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)(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 C20H21NO5S3 MW 451.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S3/c1-6-26-10-7-8-11-12(9-10)21-20(2,3)16(27)13(11)19-28-14(17(22)24-4)15(29-19)18(23)25-5/h7-9,21H,6H2,1-5H3InChIKey
UITJTMJUSFPGPU-UHFFFAOYSA-NSynonyms
303051-63-0303051630
CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2)(C)C
CCOc1ccc2c(c1)NC(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
DIMETHYL2(7ETHOXY22DIMETHYL3SULFANYLIDENE1HQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(7ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(7ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC20H21NO5S3c162610781112(910)2120(23)16(27)13(11)192814(17(22)244)15(2919)18(23)255h7921H6H215H3
METHYL2(7ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00616861
ZINC000003880375
ZINC03880375
ZINC3880375
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