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Vitas-M small molecule compound

dimethyl 2-{1-[(4-chlorophenoxy)acetyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK031952
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)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 C27H24ClNO6S3 MW 590.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClNO6S3/c1-14-6-11-18-17(12-14)20(26-37-21(24(31)33-4)22(38-26)25(32)34-5)23(36)27(2,3)29(18)19(30)13-35-16-9-7-15(28)8-10-16/h6-12H,13H2,1-5H3
InChIKey
FYKPDHXBFFAVEP-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)COC4=CC=C(C=C4)Cl
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)COc2ccc(cc2)Cl)S1)C(=O)OC
DIMETHYL2(1((4CHLOROPHENOXY)ACETYL)226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((4CHLOROPHENOXY)ACETYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(4CHLOROPHENOXY)ACETYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(4chlorophenoxy)acetyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H24ClNO6S3c1146111817(1214)20(263721(24(31)334)22(3826)25(32)345)23(36)27(23)29(18)19(30)1335169715(28)81016h612H13H215H3
METHYL2(1(2(4CHLOROPHENOXY)ACETYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01565204
STK031952
ZINC000008440574
ZINC08440574
ZINC8440574

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Available files

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