Vitas-M small molecule compound
1-methyl-5-{[4-(4-methylquinolin-2-yl)piperazin-1-yl]carbonyl}-1H-pyrazole-4-carboxylic acid
Catalog ID
STL390525
SMILES O=C(c1n(C)ncc1C(=O)O)N1CCN(CC1)c1cc(C)c2c(n1)cccc2
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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 C20H21N5O3 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3/c1-13-11-17(22-16-6-4-3-5-14(13)16)24-7-9-25(10-8-24)19(26)18-15(20(27)28)12-21-23(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,27,28)InChIKey
CPINOUJJSXRCJD-UHFFFAOYSA-NSynonyms
1174875-83-21174875832
1methyl5((4(4methylquinolin2yl)piperazin1yl)carbonyl)1Hpyrazole4carboxylicacid
1methyl5(4(4methylquinolin1ium2yl)piperazine1carbonyl)pyrazole4carboxylate
CC1=CC(=(NH+)C2=CC=CC=C12)N3CCN(CC3)C(=O)C4=C(C=NN4C)C(=O)(O)
InChI=1SC20H21N5O3c1131117(2216643514(13)16)247925(10824)19(26)1815(20(27)28)122123(18)2h361112H710H212H3(H2728)
MFCD09470510
ZINC000020615329
ZINC20615329
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