Vitas-M small molecule compound

dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK055409
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1ccccc1)(C)C

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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 C27H25NO6S3 MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S3/c1-6-34-16-12-13-18-17(14-16)19(26-36-20(24(30)32-4)21(37-26)25(31)33-5)22(35)27(2,3)28(18)23(29)15-10-8-7-9-11-15/h7-14H,6H2,1-5H3
InChIKey
JHBTVPBYGAHGBO-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=CC=C4
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1ccccc1)(C)C
DIMETHYL2(1BENZOYL6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1BENZOYL6ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1benzoyl6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6ETHOXY22DIMETHYL1(PHENYLCARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC27H25NO6S3c16341612131817(1416)19(263620(24(30)324)21(3726)25(31)335)22(35)27(23)28(18)23(29)15108791115h714H6H215H3
METHYL2(6ETHOXY22DIMETHYL1(PHENYLCARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00532512
STK055409
ZINC000008435471
ZINC08435471
ZINC8435471

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Available files

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