Vitas-M small molecule compound
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK053398
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)CC(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 C24H27NO6S3 MW 521.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO6S3/c1-12(2)10-16(26)25-15-9-8-13(29-5)11-14(15)17(20(32)24(25,3)4)23-33-18(21(27)30-6)19(34-23)22(28)31-7/h8-9,11-12H,10H2,1-7H3InChIKey
IJXYETSQODXPSS-UHFFFAOYSA-NSynonyms
336175-33-8336175338
CC(C)CC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OC
DIMETHYL2(6METHOXY22DIMETHYL1(3METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6METHOXY22DIMETHYL1(3METHYLBUTANOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6METHOXY22DIMETHYL1(3METHYLBUTANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC24H27NO6S3c112(2)1016(26)25159813(295)1114(15)17(20(32)24(253)4)233318(21(27)306)19(3423)22(28)317h891112H10H217H3
MFCD01562628
STK053398
ZINC000006133926
ZINC06133926
ZINC6133926
Check stock
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Check stock on Vitas-MAvailable files
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