Vitas-M small molecule compound
5-[1-hydroxy-2-(4-{[(3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl)amino]methyl}phenoxy)ethyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK512417
SMILES OC(c1ccc2c(c1)n(C)c(=O)n2C)COc1ccc(cc1)CNC12CC3CC(C1)CC(C2)(C3)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 C28H35N3O4 MW 477.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O4/c1-30-23-8-5-21(10-24(23)31(2)26(30)33)25(32)16-35-22-6-3-18(4-7-22)15-29-27-11-19-9-20(12-27)14-28(34,13-19)17-27/h3-8,10,19-20,25,29,32,34H,9,11-17H2,1-2H3InChIKey
UPIGOQXPZICCCJ-UHFFFAOYSA-NSynonyms
5(1hydroxy2(4(((3hydroxy1adamantyl)amino)methyl)phenoxy)ethyl)13dimethylbenzimidazol2one
5(1hydroxy2(4(((3hydroxytricyclo(3311~37~)dec1yl)amino)methyl)phenoxy)ethyl)13dimethyl13dihydro2Hbenzimidazol2one
CN1C2=C(C=C(C=C2)C(COC3=CC=C(C=C3)CNC45CC6CC(C4)CC(C6)(C5)O)O)N(C1=O)C
InChI=1SC28H35N3O4c130238521(1024(23)31(2)26(30)33)25(32)1635226318(4722)1529271119920(1227)1428(341319)1727h3810192025293234H91117H212H3
MFCD09691486
ZINC000224064106
ZINC000224064158
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