Vitas-M small molecule compound
methyl 3-(4-cyanophenyl)-3-[3-hydroxy-5-(4-methoxybenzyl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL409735
SMILES COC(=O)CC(c1c(O)n[nH]c1Cc1ccc(cc1)OC)c1ccc(cc1)C#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 C22H21N3O4 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4/c1-28-17-9-5-14(6-10-17)11-19-21(22(27)25-24-19)18(12-20(26)29-2)16-7-3-15(13-23)4-8-16/h3-10,18H,11-12H2,1-2H3,(H2,24,25,27)InChIKey
SISLZOVRNGBRNC-UHFFFAOYSA-NSynonyms
1574326-08-11574326081
COC(=O)CC(c1c(O)n(nH)c1Cc1ccc(cc1)OC)c1ccc(cc1)C#N
COC1=CC=C(C=C1)CC2=C(C(=O)NN2)C(CC(=O)OC)C3=CC=C(C=C3)C#N
InChI=1SC22H21N3O4c128179514(61017)111921(22(27)252419)18(1220(26)292)167315(1323)4816h31018H1112H212H3(H2242527)
methyl3(4cyanophenyl)3(3((4methoxyphenyl)methyl)5oxo12dihydropyrazol4yl)propanoate
methyl3(4cyanophenyl)3(3hydroxy5(4methoxybenzyl)1Hpyrazol4yl)propanoate
MFCD30705862
ZINC000096117889
ZINC000096117890
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