Vitas-M small molecule compound
methyl (2Z)-2-({[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}imino)-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL317510
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2c(C)nn(c2C)C2CCS(=O)(=O)C2)/sc1C
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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 C16H20N4O5S2 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O5S2/c1-8-12(9(2)20(19-8)11-5-6-27(23,24)7-11)14(21)18-16-17-13(10(3)26-16)15(22)25-4/h11H,5-7H2,1-4H3,(H,17,18,21)InChIKey
HJYLQDFAUQVMNB-UHFFFAOYSA-NSynonyms
1401585-99-61401585996
COC(=O)c1(nH)c(=NC(=O)c2c(C)nn(c2C)C2CCS(=O)(=O)C2)sc1C
methyl(2Z)2(((1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)carbonyl)imino)5methyl23dihydro13thiazole4carboxylate
MFCD28028426
ZINC000079486761
ZINC000079486767
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