Vitas-M small molecule compound

3-(1H-benzimidazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4H-chromen-4-one

Catalog ID
STK888558
SMILES CCc1cc2c(c(c1O)CN1CCCC(C1)(C)C)occ(c2=O)c1nc2c([nH]1)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 C26H29N3O3 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3/c1-4-16-12-17-23(31)19(25-27-20-8-5-6-9-21(20)28-25)14-32-24(17)18(22(16)30)13-29-11-7-10-26(2,3)15-29/h5-6,8-9,12,14,30H,4,7,10-11,13,15H2,1-3H3,(H,27,28)
InChIKey
GSAOMYVJVXLGGW-UHFFFAOYSA-N
Synonyms
637747-36-5
3(1HBENZIMIDAZOL2YL)8((33DIMETHYLPIPERIDIN1IUM1YL)METHYL)6ETHYL4OXOCHROMEN7OLATE
3(1Hbenzimidazol2yl)8((33dimethylpiperidin1yl)methyl)6ethyl7hydroxy4Hchromen4one
3(1HBENZIMIDAZOL2YL)8((33DIMETHYLPIPERIDIN1YL)METHYL)6ETHYL7HYDROXYCHROMEN4ONE
3(1HBENZO(D)IMIDAZOL2YL)8((33DIMETHYLPIPERIDIN1YL)METHYL)6ETHYL7HYDROXY4HCHROMEN4ONE
3BENZIMIDAZOL2YL8((33DIMETHYLPIPERIDYL)METHYL)6ETHYL7HYDROXYCHROMEN4ONE
637747365
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C(NH+)5CCCC(C5)(C)C)(O)
CCc1cc2c(c(c1O)CN1CCCC(C1)(C)C)occ(c2=O)c1nc2c((nH)1)cccc2
InChI=1SC26H29N3O3c1416121723(31)19(252720856921(20)2825)143224(17)18(22(16)30)13291171026(23)1529h5689121430H4710111315H213H3(H2728)
MFCD03804494
ZINC000009073647
ZINC9073647

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Available files

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