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dimethyl 2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK091795
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)(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 C34H28N2O8S3 MW 688.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N2O8S3/c1-6-44-18-13-14-22-21(15-18)25(33-46-26(31(40)42-4)27(47-33)32(41)43-5)28(45)34(2,3)36(22)23(37)16-35-29(38)19-11-7-9-17-10-8-12-20(24(17)19)30(35)39/h7-15H,6,16H2,1-5H3
InChIKey
BBBZOGHYPNIWJO-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)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)(C)C
DIMETHYL2(1((13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ACETYL)6(ETHYLOXY)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ACETYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ACETYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC34H28N2O8S3c16441813142221(1518)25(334626(31(40)424)27(4733)32(41)435)28(45)34(23)36(22)23(37)163529(38)191179171081220(24(17)19)30(35)39h715H616H215H3
MFCD01137986
STK091795
ZINC000008425640
ZINC08425640
ZINC8425640

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Available files

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