Vitas-M small molecule compound
dimethyl 2-{1-[(2,4-dichlorophenyl)carbonyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK026967
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2Cl)Cl)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 C27H23Cl2NO5S3 MW 608.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23Cl2NO5S3/c1-12-9-16-18(10-13(12)2)30(23(31)15-8-7-14(28)11-17(15)29)27(3,4)22(36)19(16)26-37-20(24(32)34-5)21(38-26)25(33)35-6/h7-11H,1-6H3InChIKey
PDIIYTCDWNVFAP-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=C(C=C(C=C4)Cl)Cl)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2Cl)Cl)C)S1)C(=O)OC
dimethyl2(1((24dichlorophenyl)carbonyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(24dichlorobenzoyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(24dichlorobenzoyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H23Cl2NO5S3c11291618(1013(12)2)30(23(31)158714(28)1117(15)29)27(34)22(36)19(16)263720(24(32)345)21(3826)25(33)356h711H16H3
MFCD01560481
STK026967
ZINC000008440700
ZINC08440700
ZINC8440700
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.