Vitas-M small molecule compound
4-{5-[6-hydroxy-3-oxo-1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]furan-2-yl}benzoic acid
Catalog ID
STL162289
SMILES OC1=Nc2c(C(C1)c1ccc(o1)c1ccc(cc1)C(=O)O)c(=O)[nH]n2C(C)C
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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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-10(2)23-18-17(19(25)22-23)13(9-16(24)21-18)15-8-7-14(28-15)11-3-5-12(6-4-11)20(26)27/h3-8,10,13H,9H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)InChIKey
WFWCGAPRLUGDKE-UHFFFAOYSA-NSynonyms
1310939-53-71310939537
4(5(36dioxo1propan2yl2457tetrahydropyrazolo(34b)pyridin4yl)furan2yl)benzoicacid
4(5(6hydroxy3oxo1(propan2yl)2345tetrahydro1Hpyrazolo(34b)pyridin4yl)furan2yl)benzoicacid
CC(C)N1C2=C(C(CC(=O)N2)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)N1
InChI=1SC20H19N3O5c110(2)231817(19(25)2223)13(916(24)2118)158714(2815)113512(6411)20(26)27h381013H9H212H3(H2124)(H2225)(H2627)
MFCD20759641
OC1=Nc2c(C(C1)c1ccc(o1)c1ccc(cc1)C(=O)O)c(=O)(nH)n2C(C)C
ZINC000071283062
ZINC000071283063
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