Vitas-M small molecule compound

dimethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK132548
SMILES COC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)CC(C)C)C)/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 C24H27NO5S3 MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5S3/c1-12(2)10-16(26)25-15-11-13(3)8-9-14(15)17(20(31)24(25,4)5)23-32-18(21(27)29-6)19(33-23)22(28)30-7/h8-9,11-12H,10H2,1-7H3
InChIKey
AQUQBYKFRWIRMN-UHFFFAOYSA-N
Synonyms
511514-43-5
511514435
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CC(C)C)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)CC(C)C)C)S1)C(=O)OC
DIMETHYL2(227TRIMETHYL1(3METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(227TRIMETHYL1(3METHYLBUTANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC24H27NO5S3c112(2)1016(26)25151113(3)8914(15)17(20(31)24(254)5)233218(21(27)296)19(3323)22(28)307h891112H10H217H3
METHYL5(METHOXYCARBONYL)2(227TRIMETHYL1(3METHYLBUTANOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD03490262
ZINC000009850427
ZINC09850427
ZINC9850427

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Available files

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