Vitas-M small molecule compound

1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-{2-[(3-hydroxypropyl)amino]-1H-benzimidazol-1-yl}ethanone

Catalog ID
STK083969
SMILES OCCCNc1nc2c(n1CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)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 C26H35N3O3 MW 437.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35N3O3/c1-25(2,3)18-14-17(15-19(23(18)32)26(4,5)6)22(31)16-29-21-11-8-7-10-20(21)28-24(29)27-12-9-13-30/h7-8,10-11,14-15,30,32H,9,12-13,16H2,1-6H3,(H,27,28)
InChIKey
ROGJGRWIJLMESO-UHFFFAOYSA-N
Synonyms

1(35DITERTBUTYL4HYDROXYPHENYL)2(2((3HYDROXYPROPYL)AMINO)1HBENZIMIDAZOL1YL)ETHANONE
1(35ditertbutyl4hydroxyphenyl)2(2((3hydroxypropyl)amino)1Hbenzo(d)imidazol1yl)ethanonehydrobromide
1(35DITERTBUTYL4HYDROXYPHENYL)2(2(3HYDROXYPROPYLAMINO)BENZIMIDAZOL1YL)ETHANONE
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3N=C2NCCCO
InChI=1SC26H35N3O3c125(23)181417(1519(23(18)32)26(45)6)22(31)16292111871020(21)2824(29)271291330h78101114153032H9121316H216H3(H2728)
MFCD01055128
OCCCNc1nc2c(n1CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)cccc2
OCCCNc1nc2c(n1CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)cccc2Br
STK083969
ZINC000002900414
ZINC02900414
ZINC2900414

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.