Vitas-M small molecule compound
5-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Catalog ID
STL399081
SMILES COc1cccc(c1)CN1CCN(CC1)C(=O)c1n(C)ncc1C(=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 C18H22N4O4 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4/c1-20-16(15(11-19-20)18(24)25)17(23)22-8-6-21(7-9-22)12-13-4-3-5-14(10-13)26-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,24,25)InChIKey
PFYPPBICGOYOTM-UHFFFAOYSA-NSynonyms
1174869-10-31174869103
5((4(3METHOXYBENZYL)PIPERAZIN1YL)CARBONYL)1METHYL1HPYRAZOLE4CARBOXYLICACID
5(4((3methoxyphenyl)methyl)piperazine1carbonyl)1methylpyrazole4carboxylicacid
CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC
InChI=1SC18H22N4O4c12016(15(111920)18(24)25)17(23)228621(7922)121343514(1013)262h351011H6912H212H3(H2425)
MFCD09470450
ZINC000036615511
ZINC36615511
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