Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-[4-(methylsulfanyl)phenyl]propanoate
Catalog ID
STL320621
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(cc1)SC
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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 C15H18N2O3S MW 306.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O3S/c1-9-14(15(19)17-16-9)12(8-13(18)20-2)10-4-6-11(21-3)7-5-10/h4-7,12H,8H2,1-3H3,(H2,16,17,19)InChIKey
XTTGCLHXJLTNKE-UHFFFAOYSA-NSynonyms
1435983-44-01435983440
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(C=C2)SC
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(cc1)SC
InChI=1SC15H18N2O3Sc1914(15(19)17169)12(813(18)202)104611(213)7510h4712H8H213H3(H2161719)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(4(methylsulfanyl)phenyl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(4methylsulfanylphenyl)propanoate
MFCD28029598
ZINC000095480939
ZINC000095480940
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