Vitas-M small molecule compound
dimethyl 2-{1-[(4-chlorophenoxy)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK064068
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)COc2ccc(cc2)Cl)/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 C28H26ClNO6S3 MW 604.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClNO6S3/c1-14-11-18-19(12-15(14)2)30(20(31)13-36-17-9-7-16(29)8-10-17)28(3,4)24(37)21(18)27-38-22(25(32)34-5)23(39-27)26(33)35-6/h7-12H,13H2,1-6H3InChIKey
KDDCJMSVJSOSFK-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)COC4=CC=C(C=C4)Cl)(C)C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)COc2ccc(cc2)Cl)S1)C(=O)OC
dimethyl2(1((4chlorophenoxy)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(4chlorophenoxy)acetyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(4chlorophenoxy)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H26ClNO6S3c114111819(1215(14)2)30(20(31)1336179716(29)81017)28(34)24(37)21(18)273822(25(32)345)23(3927)26(33)356h712H13H216H3
MFCD01565281
STK064068
ZINC000098050655
ZINC98050655
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.