Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-[3-(pyridin-2-ylmethoxy)phenyl]propanoate
Catalog ID
STL317351
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1cccc(c1)OCc1ccccn1
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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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-13-19(20(25)23-22-13)17(11-18(24)26-2)14-6-5-8-16(10-14)27-12-15-7-3-4-9-21-15/h3-10,17H,11-12H2,1-2H3,(H2,22,23,25)InChIKey
QTJZBLVYRCCXJO-UHFFFAOYSA-NSynonyms
1435990-66-11435990661
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC(=CC=C2)OCC3=CC=CC=N3
COC(=O)CC(c1c(C)(nH)nc1O)c1cccc(c1)OCc1ccccn1
InChI=1SC20H21N3O4c11319(20(25)232213)17(1118(24)262)1465816(1014)27121573492115h31017H1112H212H3(H2222325)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(3(pyridin2ylmethoxy)phenyl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(3(pyridin2ylmethoxy)phenyl)propanoate
MFCD28028338
ZINC000095478478
ZINC000095478479
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