Vitas-M small molecule compound
diethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789698
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CC(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 C27H33NO6S3 MW 563.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO6S3/c1-8-32-16-11-12-18-17(14-16)20(23(35)27(6,7)28(18)19(29)13-15(4)5)26-36-21(24(30)33-9-2)22(37-26)25(31)34-10-3/h11-12,14-15H,8-10,13H2,1-7H3InChIKey
MRCUEOJIWIJEGZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)CC(C)C
DIETHYL2(6ETHOXY22DIMETHYL1(3METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6ETHOXY22DIMETHYL1(3METHYLBUTANOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(6ethoxy22dimethyl1(3methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H33NO6S3c18321611121817(1416)20(23(35)27(67)28(18)19(29)1315(4)5)263621(24(30)3392)22(3726)25(31)34103h11121415H81013H217H3
MFCD01796177
ZINC000008431814
ZINC08431814
ZINC8431814
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.