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

Catalog ID
STK099939
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(s2)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 C28H24N2O5S5 MW 628.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5S5/c1-14-10-11-17-15(12-14)20(26-39-21(24(32)34-4)22(40-26)25(33)35-5)23(36)28(2,3)30(17)19(31)13-37-27-29-16-8-6-7-9-18(16)38-27/h6-12H,13H2,1-5H3
InChIKey
JRJWVFZNFWEHNP-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)CSC4=NC5=CC=CC=C5S4
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(s2)cccc3)S1)C(=O)OC
DIMETHYL2(1((13BENZOTHIAZOL2YLSULFANYL)ACETYL)226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((13BENZOTHIAZOL2YLSULFANYL)ACETYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(benzo(d)thiazol2ylthio)acetyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H24N2O5S5c11410111715(1214)20(263921(24(32)344)22(4026)25(33)355)23(36)28(23)30(17)19(31)1337272916867918(16)3827h612H13H215H3
METHYL2(1(2BENZOTHIAZOL2YLTHIOACETYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01171268
STK099939
ZINC000008440418
ZINC08440418
ZINC8440418

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Available files

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