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

Catalog ID
STK789423
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(o2)cccc3)/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 C27H22N2O6S4 MW 598.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S4/c1-27(2)22(36)19(25-38-20(23(31)33-3)21(39-25)24(32)34-4)14-9-5-7-11-16(14)29(27)18(30)13-37-26-28-15-10-6-8-12-17(15)35-26/h5-12H,13H2,1-4H3
InChIKey
MKQFRSUIRQSNQZ-UHFFFAOYSA-N
Synonyms
303175-14-6
303175146
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CSC4=NC5=CC=CC=C5O4)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(o2)cccc3)S1)C(=O)OC
DIMETHYL2(1((13BENZOXAZOL2YLSULFANYL)ACETYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1((13benzoxazol2ylsulfanyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13BENZOXAZOL2YLSULFANYL)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(benzo(d)oxazol2ylthio)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H22N2O6S4c127(2)22(36)19(253820(23(31)333)21(3925)24(32)344)149571116(14)29(27)18(30)133726281510681217(15)3526h512H13H214H3
MFCD01171261
ZINC000008430474
ZINC08430474
ZINC8430474

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Available files

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