Vitas-M small molecule compound
4-chloro-3-{5-[1-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-methoxy-3-oxopropyl]furan-2-yl}benzoic acid
Catalog ID
STL313296
SMILES COC(=O)CC(c1c(O)n[nH]c1C)c1ccc(o1)c1cc(ccc1Cl)C(=O)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 C19H17ClN2O6 MW 404.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O6/c1-9-17(18(24)22-21-9)12(8-16(23)27-2)15-6-5-14(28-15)11-7-10(19(25)26)3-4-13(11)20/h3-7,12H,8H2,1-2H3,(H,25,26)(H2,21,22,24)InChIKey
YBXOUTMYXRFZOM-UHFFFAOYSA-NSynonyms
1436005-53-61436005536
4chloro3(5(1(3hydroxy5methyl1Hpyrazol4yl)3methoxy3oxopropyl)furan2yl)benzoicacid
4chloro3(5(3methoxy1(3methyl5oxo12dihydropyrazol4yl)3oxopropyl)furan2yl)benzoicacid
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl
COC(=O)CC(c1c(O)n(nH)c1C)c1ccc(o1)c1cc(ccc1Cl)C(=O)O
InChI=1SC19H17ClN2O6c1917(18(24)22219)12(816(23)272)156514(2815)11710(19(25)26)3413(11)20h3712H8H212H3(H2526)(H2212224)
MFCD28030023
ZINC000095475430
ZINC000095475431
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