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

Catalog ID
STK789427
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(o2)cccc3)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 C29H26N2O6S4 MW 626.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S4/c1-14-11-16-18(12-15(14)2)31(20(32)13-39-28-30-17-9-7-8-10-19(17)37-28)29(3,4)24(38)21(16)27-40-22(25(33)35-5)23(41-27)26(34)36-6/h7-12H,13H2,1-6H3
InChIKey
HRNOEOBMJBVMEM-UHFFFAOYSA-N
Synonyms
332019-10-0
332019100
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CSC4=NC5=CC=CC=C5O4)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(o2)cccc3)C)S1)C(=O)OC
dimethyl2(1((13benzoxazol2ylsulfanyl)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13benzoxazol2ylsulfanyl)acetyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(benzo(d)oxazol2ylthio)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H26N2O6S4c114111618(1215(14)2)31(20(32)13392830179781019(17)3728)29(34)24(38)21(16)274022(25(33)355)23(4127)26(34)366h712H13H216H3
MFCD01171273
ZINC000008430642
ZINC08430642
ZINC8430642

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Available files

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