Vitas-M small molecule compound
methyl 3-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL310597
SMILES COC(=O)CC(c1c(O)n[nH]c1C)c1c(C)nn(c1C)C1CCS(=O)(=O)C1
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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 C17H24N4O5S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N4O5S/c1-9-16(17(23)19-18-9)13(7-14(22)26-4)15-10(2)20-21(11(15)3)12-5-6-27(24,25)8-12/h12-13H,5-8H2,1-4H3,(H2,18,19,23)InChIKey
XNZOPSUINFDSMI-UHFFFAOYSA-NSynonyms
1435980-57-61435980576
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=C(N(N=C2C)C3CCS(=O)(=O)C3)C
COC(=O)CC(c1c(O)n(nH)c1C)c1c(C)nn(c1C)C1CCS(=O)(=O)C1
InChI=1SC17H24N4O5Sc1916(17(23)19189)13(714(22)264)1510(2)2021(11(15)3)125627(2425)812h1213H58H214H3(H2181923)
methyl3(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(1(11dioxothiolan3yl)35dimethylpyrazol4yl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28025614
ZINC000095473437
ZINC000095473440
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