Vitas-M small molecule compound

3-(1H-benzimidazol-2-yl)-6-ethyl-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate

Catalog ID
STK563942
SMILES CCc1cc2c(c(c1[O-])C[NH+]1CCCCC1)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 C24H25N3O3 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3/c1-2-15-12-16-22(29)18(24-25-19-8-4-5-9-20(19)26-24)14-30-23(16)17(21(15)28)13-27-10-6-3-7-11-27/h4-5,8-9,12,14,28H,2-3,6-7,10-11,13H2,1H3,(H,25,26)
InChIKey
SGIKCUFLVAPASB-UHFFFAOYSA-N
Synonyms
637747-19-4
3(1HBENZIMIDAZOL2YL)6ETHYL4OXO8(PIPERIDIN1IUM1YLMETHYL)CHROMEN7OLATE
3(1Hbenzimidazol2yl)6ethyl4oxo8(piperidinium1ylmethyl)4Hchromen7olate
3(1HBENZIMIDAZOL2YL)6ETHYL7HYDROXY8(PIPERIDIN1YLMETHYL)CHROMEN4ONE
3(1HBENZO(D)IMIDAZOL2YL)6ETHYL7HYDROXY8(PIPERIDIN1YLMETHYL)4HCHROMEN4ONE
3(1HBENZOIMIDAZOL2YL)6ETHYL7HYDROXY8PIPERIDIN1YLMETHYLCHROMEN4ONE
3BENZIMIDAZOL2YL6ETHYL7HYDROXY8(PIPERIDYLMETHYL)CHROMEN4ONE
637747194
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C(NH+)5CCCCC5)(O)
CCc1cc2c(c(c1(O))C(NH+)1CCCCC1)occ(c2=O)c1nc2c((nH)1)cccc2
InChI=1SC24H25N3O3c1215121622(29)18(242519845920(19)2624)143023(16)17(21(15)28)1327106371127h4589121428H2367101113H21H3(H2526)
MFCD03671549
ZINC000001306423
ZINC1306423

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Available files

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