Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK063422
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(s2)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 C29H26N2O5S5 MW 642.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5S5/c1-14-11-16-18(12-15(14)2)31(20(32)13-38-28-30-17-9-7-8-10-19(17)39-28)29(3,4)24(37)21(16)27-40-22(25(33)35-5)23(41-27)26(34)36-6/h7-12H,13H2,1-6H3InChIKey
RZQZZVUAVUFHCE-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CSC4=NC5=CC=CC=C5S4)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(s2)cccc3)C)S1)C(=O)OC
dimethyl2(1((13benzothiazol2ylsulfanyl)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13benzothiazol2ylsulfanyl)acetyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(benzo(d)thiazol2ylthio)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H26N2O5S5c114111618(1215(14)2)31(20(32)13382830179781019(17)3928)29(34)24(37)21(16)274022(25(33)355)23(4127)26(34)366h712H13H216H3
MFCD01171271
STK063422
ZINC000008430466
ZINC08430466
ZINC8430466
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.