Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK049261
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)cc(c3N(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/c1-14-11-15(2)21-16(12-14)20(27-40-22(25(33)35-5)23(41-27)26(34)36-6)24(37)29(3,4)31(21)19(32)13-38-28-30-17-9-7-8-10-18(17)39-28/h7-12H,13H2,1-6H3InChIKey
NFEVCDOWWLKRBY-UHFFFAOYSA-NSynonyms
CC1=CC(=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)cc(c3N(C(C2=S)(C)C)C(=O)CSc2nc3c(s2)cccc3)C)S1)C(=O)OC
dimethyl2(1((13benzothiazol2ylsulfanyl)acetyl)2268tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13benzothiazol2ylsulfanyl)acetyl)2268tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(benzo(d)thiazol2ylthio)acetyl)2268tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H26N2O5S5c1141115(2)2116(1214)20(274022(25(33)355)23(4127)26(34)366)24(37)29(34)31(21)19(32)13382830179781018(17)3928h712H13H216H3
MFCD01796148
STK049261
ZINC000033358402
ZINC33358402
Check stock
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