Vitas-M small molecule compound
methyl 3-(5-benzyl-3-hydroxy-1H-pyrazol-4-yl)-3-(3-chloro-4-hydroxyphenyl)propanoate
Catalog ID
STL407595
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccccc1)c1ccc(c(c1)Cl)O
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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 C20H19ClN2O4 MW 386.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O4/c1-27-18(25)11-14(13-7-8-17(24)15(21)10-13)19-16(22-23-20(19)26)9-12-5-3-2-4-6-12/h2-8,10,14,24H,9,11H2,1H3,(H2,22,23,26)InChIKey
JBGUXSGAOLXMHI-UHFFFAOYSA-NSynonyms
1574485-05-41574485054
COC(=O)CC(C1=CC(=C(C=C1)O)Cl)C2=C(NNC2=O)CC3=CC=CC=C3
COC(=O)CC(c1c((nH)nc1O)Cc1ccccc1)c1ccc(c(c1)Cl)O
InChI=1SC20H19ClN2O4c12718(25)1114(137817(24)15(21)1013)1916(222320(19)26)9125324612h28101424H911H21H3(H2222326)
methyl3(3benzyl5oxo12dihydropyrazol4yl)3(3chloro4hydroxyphenyl)propanoate
methyl3(5benzyl3hydroxy1Hpyrazol4yl)3(3chloro4hydroxyphenyl)propanoate
MFCD30704818
ZINC000096117293
ZINC000096117294
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