Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789425
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(s2)cccc3)/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 C27H22N2O5S5 MW 614.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5S5/c1-27(2)22(35)19(25-38-20(23(31)33-3)21(39-25)24(32)34-4)14-9-5-7-11-16(14)29(27)18(30)13-36-26-28-15-10-6-8-12-17(15)37-26/h5-12H,13H2,1-4H3InChIKey
UNQFPJXTIQHODP-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CSC4=NC5=CC=CC=C5S4)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)CSc2nc3c(s2)cccc3)S1)C(=O)OC
dimethyl2(1((13benzothiazol2ylsulfanyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(benzo(d)thiazol2ylthio)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H22N2O5S5c127(2)22(35)19(253820(23(31)333)21(3925)24(32)344)149571116(14)29(27)18(30)133626281510681217(15)3726h512H13H214H3
METHYL2(1(2BENZOTHIAZOL2YLTHIOACETYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01171267
ZINC000006190995
ZINC6190995
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