Vitas-M small molecule compound
methyl 3-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)propanoate
Catalog ID
STL352251
SMILES COC(=O)CC(c1c(O)cc([nH]c1=O)C)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 C19H25N3O6S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O6S/c1-10-7-15(23)18(19(25)20-10)14(8-16(24)28-4)17-11(2)21-22(12(17)3)13-5-6-29(26,27)9-13/h7,13-14H,5-6,8-9H2,1-4H3,(H2,20,23,25)InChIKey
JZUIEYYIXTUOCN-UHFFFAOYSA-NSynonyms
1374546-72-11374546721
CC1=CC(=C(C(=O)N1)C(CC(=O)OC)C2=C(N(N=C2C)C3CCS(=O)(=O)C3)C)O
COC(=O)CC(c1c(O)cc((nH)c1=O)C)c1c(C)nn(c1C)C1CCS(=O)(=O)C1
InChI=1SC19H25N3O6Sc110715(23)18(19(25)2010)14(816(24)284)1711(2)2122(12(17)3)135629(2627)913h71314H5689H214H3(H2202325)
methyl3(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)3(4hydroxy6methyl2oxo12dihydropyridin3yl)propanoate
methyl3(1(11dioxothiolan3yl)35dimethylpyrazol4yl)3(4hydroxy6methyl2oxo1Hpyridin3yl)propanoate
MFCD22202912
ZINC000072404327
ZINC000072404330
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