Vitas-M small molecule compound
6-[4-(methoxycarbonyl)phenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Catalog ID
STK914684
SMILES COC(=O)c1ccc(cc1)c1cc(C(=O)O)c2c(n1)[nH]nc2c1cccc(c1)[N+](=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 C21H14N4O6 MW 418.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O6/c1-31-21(28)12-7-5-11(6-8-12)16-10-15(20(26)27)17-18(23-24-19(17)22-16)13-3-2-4-14(9-13)25(29)30/h2-10H,1H3,(H,26,27)(H,22,23,24)InChIKey
DRDARLQBGXSTNP-UHFFFAOYSA-NSynonyms
6(4(methoxycarbonyl)phenyl)3(3nitrophenyl)1Hpyrazolo(34b)pyridine4carboxylicacid
6(4methoxycarbonylphenyl)3(3nitrophenyl)2Hpyrazolo(34b)pyridine4carboxylicacid
COC(=O)C1=CC=C(C=C1)C2=NC3=NNC(=C3C(=C2)C(=O)O)C4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)c1ccc(cc1)c1cc(C(=O)O)c2c(n1)(nH)nc2c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H14N4O6c13121(28)127511(6812)161015(20(26)27)1718(232419(17)2216)1332414(913)25(29)30h210H1H3(H2627)(H222324)
MFCD18175711
ZINC000020492284
ZINC20492284
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