Vitas-M small molecule compound
diethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK050039
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)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 C23H25NO5S3 MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S3/c1-7-28-20(26)17-18(21(27)29-8-2)32-22(31-17)16-14-11-12(3)9-10-15(14)24(13(4)25)23(5,6)19(16)30/h9-11H,7-8H2,1-6H3InChIKey
GHPWRKLJQGJYDZ-UHFFFAOYSA-NSynonyms
303051-83-4303051834
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C)S1)C(=O)OCC
DIETHYL2(1ACETYL226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1ACETYL226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC23H25NO5S3c172820(26)1718(21(27)2982)3222(3117)16141112(3)91015(14)24(13(4)25)23(56)19(16)30h911H78H216H3
MFCD00486106
STK050039
ZINC000006545815
ZINC06545815
ZINC6545815
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