Vitas-M small molecule compound

dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(pyridin-3-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789783
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1cccnc1)(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 C26H24N2O6S3 MW 556.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S3/c1-6-34-15-9-10-17-16(12-15)18(25-36-19(23(30)32-4)20(37-25)24(31)33-5)21(35)26(2,3)28(17)22(29)14-8-7-11-27-13-14/h7-13H,6H2,1-5H3
InChIKey
QNNNZKFZSWBZMT-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CN=CC=C4
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1cccnc1)(C)C
dimethyl2(6ethoxy22dimethyl1(pyridin3ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6ETHOXY22DIMETHYL1(PYRIDINE3CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy22dimethyl1nicotinoyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H24N2O6S3c1634159101716(1215)18(253619(23(30)324)20(3725)24(31)335)21(35)26(23)28(17)22(29)148711271314h713H6H215H3
MFCD01975670
ZINC000008431971
ZINC08431971
ZINC8431971

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Available files

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