Vitas-M small molecule compound

3-(3-nitrophenyl)-6-(2,3,4-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Catalog ID
STK914674
SMILES COc1c(ccc(c1OC)OC)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 C22H18N4O7 MW 450.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O7/c1-31-16-8-7-13(19(32-2)20(16)33-3)15-10-14(22(27)28)17-18(24-25-21(17)23-15)11-5-4-6-12(9-11)26(29)30/h4-10H,1-3H3,(H,27,28)(H,23,24,25)
InChIKey
UUUIQFYPCQYJKN-UHFFFAOYSA-N
Synonyms

3(3nitrophenyl)6(234trimethoxyphenyl)1Hpyrazolo(34b)pyridine4carboxylicacid
3(3nitrophenyl)6(234trimethoxyphenyl)2Hpyrazolo(34b)pyridine4carboxylicacid
COC1=C(C(=C(C=C1)C2=NC3=NNC(=C3C(=C2)C(=O)O)C4=CC(=CC=C4)(N+)(=O)(O))OC)OC
COc1c(ccc(c1OC)OC)c1cc(C(=O)O)c2c(n1)(nH)nc2c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H18N4O7c131168713(19(322)20(16)333)151014(22(27)28)1718(242521(17)2315)1154612(911)26(29)30h410H13H3(H2728)(H232425)
MFCD18175701
ZINC000020492248
ZINC20492248

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Available files

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