Vitas-M small molecule compound
6-(3-bromo-4-methoxyphenyl)-3-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Catalog ID
STK914658
SMILES COc1ccc(cc1Br)c1nc2[nH]nc(c2c(c1)C(=O)O)c1ccc(cc1)[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 C20H13BrN4O5 MW 469.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN4O5/c1-30-16-7-4-11(8-14(16)21)15-9-13(20(26)27)17-18(23-24-19(17)22-15)10-2-5-12(6-3-10)25(28)29/h2-9H,1H3,(H,26,27)(H,22,23,24)InChIKey
ZKJKDAARJKISRA-UHFFFAOYSA-NSynonyms
6(3bromo4methoxyphenyl)3(4nitrophenyl)1Hpyrazolo(34b)pyridine4carboxylicacid
6(3bromo4methoxyphenyl)3(4nitrophenyl)2Hpyrazolo(34b)pyridine4carboxylicacid
COC1=C(C=C(C=C1)C2=NC3=NNC(=C3C(=C2)C(=O)O)C4=CC=C(C=C4)(N+)(=O)(O))Br
COc1ccc(cc1Br)c1nc2(nH)nc(c2c(c1)C(=O)O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H13BrN4O5c130167411(814(16)21)15913(20(26)27)1718(232419(17)2215)102512(6310)25(28)29h29H1H3(H2627)(H222324)
MFCD18175685
ZINC000020492163
ZINC20492163
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