Vitas-M small molecule compound
dimethyl 2-[2,2,6-trimethyl-1-(pyridin-4-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK320692
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)c2ccncc2)/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 C25H22N2O5S3 MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S3/c1-13-6-7-16-15(12-13)17(24-34-18(22(29)31-4)19(35-24)23(30)32-5)20(33)25(2,3)27(16)21(28)14-8-10-26-11-9-14/h6-12H,1-5H3InChIKey
LRKPZZLNONLGRR-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)C4=CC=NC=C4
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)c2ccncc2)S1)C(=O)OC
dimethyl2(1isonicotinoyl226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(226trimethyl1(pyridin4ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL1(PYRIDINE4CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC25H22N2O5S3c113671615(1213)17(243418(22(29)314)19(3524)23(30)325)20(33)25(23)27(16)21(28)148102611914h612H15H3
MFCD02817120
ZINC000097950999
ZINC97950999
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