Vitas-M small molecule compound
1-[2-hydroxy-3-(3-methylphenoxy)propyl]-4-[(4-methoxyphenyl)carbonyl]piperazin-1-ium
Catalog ID
STK370142
SMILES COc1ccc(cc1)C(=O)N1CC[NH+](CC1)CC(COc1cccc(c1)C)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 C22H29N2O4 MW 385.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4/c1-17-4-3-5-21(14-17)28-16-19(25)15-23-10-12-24(13-11-23)22(26)18-6-8-20(27-2)9-7-18/h3-9,14,19,25H,10-13,15-16H2,1-2H3/p+1InChIKey
PPQNTEUKCTXITF-UHFFFAOYSA-OSynonyms
(4(2HYDROXY3(3METHYLPHENOXY)PROPYL)PIPERAZIN4IUM1YL)(4METHOXYPHENYL)METHANONE
1(2hydroxy3(3methylphenoxy)propyl)4((4methoxyphenyl)carbonyl)piperazin1ium
CC1=CC(=CC=C1)OCC(C(NH+)2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)O
COc1ccc(cc1)C(=O)N1CC(NH+)(CC1)CC(COc1cccc(c1)C)O
InChI=1SC22H28N2O4c11743521(1417)281619(25)1523101224(131123)22(26)186820(272)9718h39141925H10131516H212H3p+1
MFCD00351703
ZINC000019229493
ZINC000019229495
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