Vitas-M small molecule compound

dimethyl 2-{1-[(2-chlorophenyl)carbonyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK320595
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2Cl)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 C27H24ClNO5S3 MW 574.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClNO5S3/c1-13-11-16-18(12-14(13)2)29(23(30)15-9-7-8-10-17(15)28)27(3,4)22(35)19(16)26-36-20(24(31)33-5)21(37-26)25(32)34-6/h7-12H,1-6H3
InChIKey
NKTXAMIPCRFEDI-UHFFFAOYSA-N
Synonyms

CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4Cl)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2Cl)C)S1)C(=O)OC
dimethyl2(1((2chlorophenyl)carbonyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2chlorobenzoyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2chlorobenzoyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H24ClNO5S3c113111618(1214(13)2)29(23(30)159781017(15)28)27(34)22(35)19(16)263620(24(31)335)21(3726)25(32)346h712H16H3
MFCD01068080
ZINC000098045430
ZINC98045430

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Available files

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