Vitas-M small molecule compound

methyl 3-[4-(2-amino-2-oxoethoxy)phenyl]-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate

Catalog ID
STL313491
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(cc1)OCC(=O)N

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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 C16H19N3O5 MW 333.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O5/c1-9-15(16(22)19-18-9)12(7-14(21)23-2)10-3-5-11(6-4-10)24-8-13(17)20/h3-6,12H,7-8H2,1-2H3,(H2,17,20)(H2,18,19,22)
InChIKey
IKJLDEQFTTZOSD-UHFFFAOYSA-N
Synonyms
1435907-29-1
1435907291
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(C=C2)OCC(=O)N
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(cc1)OCC(=O)N
InChI=1SC16H19N3O5c1915(16(22)19189)12(714(21)232)103511(6410)24813(17)20h3612H78H212H3(H21720)(H2181922)
methyl3(4(2amino2oxoethoxy)phenyl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(4(2amino2oxoethoxy)phenyl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28030138
ZINC000095475580
ZINC000095475581

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.