Vitas-M small molecule compound
diethyl 2-(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK029475
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C)/S1)C(=O)OCC
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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 C21H23NO4S3 MW 449.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4S3/c1-6-25-18(23)15-16(19(24)26-7-2)29-20(28-15)14-12-10-8-9-11-13(12)22(5)21(3,4)17(14)27/h8-11H,6-7H2,1-5H3InChIKey
PDAYAPPMXVVSAQ-UHFFFAOYSA-NSynonyms
296272-65-6296272656
CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C)S1)C(=O)OCC
DIETHYL2(122TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(122TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)2(122TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC21H23NO4S3c162518(23)1516(19(24)2672)2920(2815)141210891113(12)22(5)21(34)17(14)27h811H67H215H3
MFCD00532505
STK029475
ZINC000003878846
ZINC03878846
ZINC3878846
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