Vitas-M small molecule compound
ethyl (2E)-2-({[1-(1,1-dioxidotetrahydrothiophen-3-yl)-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]carbonyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL156087
SMILES CCOC(=O)c1s/c(=N/C(=O)C2=NN(C(=O)CC2)C2CCS(=O)(=O)C2)/[nH]c1C
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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 C16H20N4O6S2 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O6S2/c1-3-26-15(23)13-9(2)17-16(27-13)18-14(22)11-4-5-12(21)20(19-11)10-6-7-28(24,25)8-10/h10H,3-8H2,1-2H3,(H,17,18,22)InChIKey
HDHKUNOTNPFALG-UHFFFAOYSA-NSynonyms
1030718-18-31030718183
CCOC(=O)C1=C(N=C(S1)NC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3)C
CCOC(=O)c1sc(=NC(=O)C2=NN(C(=O)CC2)C2CCS(=O)(=O)C2)(nH)c1C
ethyl(2E)2(((1(11dioxidotetrahydrothiophen3yl)6oxo1456tetrahydropyridazin3yl)carbonyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((1(11dioxothiolan3yl)6oxo45dihydropyridazine3carbonyl)amino)4methyl13thiazole5carboxylate
InChI=1SC16H20N4O6S2c132615(23)139(2)1716(2713)1814(22)114512(21)20(1911)106728(2425)810h10H38H212H3(H171822)
MFCD20757556
ZINC000012777981
ZINC000012777985
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