Vitas-M small molecule compound

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

Catalog ID
STK789692
SMILES CCOc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)cccc3)C(C(=S)/C/2=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)(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 C29H26N2O6S5 MW 658.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S5/c1-6-37-15-11-12-16-18(13-15)31(20(32)14-39-28-30-17-9-7-8-10-19(17)40-28)29(2,3)24(38)21(16)27-41-22(25(33)35-4)23(42-27)26(34)36-5/h7-13H,6,14H2,1-5H3
InChIKey
ZVUXTFHMSWTTAM-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CSC4=NC5=CC=CC=C5S4)(C)C
CCOc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)cccc3)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
dimethyl2(1((13benzothiazol2ylsulfanyl)acetyl)7ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)7ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(benzo(d)thiazol2ylthio)acetyl)7ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H26N2O6S5c16371511121618(1315)31(20(32)14392830179781019(17)4028)29(23)24(38)21(16)274122(25(33)354)23(4227)26(34)365h713H614H215H3
MFCD01156109
ZINC000097999865
ZINC97999865

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Available files

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