Vitas-M small molecule compound
4-[6-hydroxy-3-oxo-1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Catalog ID
STL162492
SMILES CC(n1[nH]c(=O)c2c1N=C(O)CC2c1ccc(cc1)C(=O)O)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 C16H17N3O4 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4/c1-8(2)19-14-13(15(21)18-19)11(7-12(20)17-14)9-3-5-10(6-4-9)16(22)23/h3-6,8,11H,7H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)InChIKey
RHAATIJROBDCRX-UHFFFAOYSA-NSynonyms
1310939-04-81310939048
4(36dioxo1propan2yl2457tetrahydropyrazolo(34b)pyridin4yl)benzoicacid
4(6hydroxy3oxo1(propan2yl)2345tetrahydro1Hpyrazolo(34b)pyridin4yl)benzoicacid
CC(C)N1C2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(=O)O)C(=O)N1
CC(n1(nH)c(=O)c2c1N=C(O)CC2c1ccc(cc1)C(=O)O)C
InChI=1SC16H17N3O4c18(2)191413(15(21)1819)11(712(20)1714)93510(649)16(22)23h36811H7H212H3(H1720)(H1821)(H2223)
MFCD20759703
ZINC000071281711
ZINC000071281713
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