Vitas-M small molecule compound

3-(1H-benzimidazol-2-yl)-8-[(dimethylammonio)methyl]-6-ethyl-4-oxo-4H-chromen-7-olate

Catalog ID
STK638367
SMILES CCc1cc2c(=O)c(coc2c(c1[O-])C[NH+](C)C)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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-4-12-9-13-19(26)15(21-22-16-7-5-6-8-17(16)23-21)11-27-20(13)14(18(12)25)10-24(2)3/h5-9,11,25H,4,10H2,1-3H3,(H,22,23)
InChIKey
WODPKECPEKLTJE-UHFFFAOYSA-N
Synonyms
210640-04-3
3(1Hbenzimidazol2yl)8((dimethylamino)methyl)6ethyl7hydroxychromen4one
3(1Hbenzimidazol2yl)8((dimethylammonio)methyl)6ethyl4oxo4Hchromen7olate
3(1HBENZIMIDAZOL2YL)8(DIMETHYLAMINOMETHYL)6ETHYL7HYDROXYCHROMEN4ONE
3(1HBENZO(D)IMIDAZOL2YL)8((DIMETHYLAMINO)METHYL)6ETHYL7HYDROXY4HCHROMEN4ONE
3(1HBENZOIMIDAZOL2YL)8DIMETHYLAMINOMETHYL6ETHYL7HYDROXYCHROMEN4ONE
3BENZIMIDAZOL2YL8((DIMETHYLAMINO)METHYL)6ETHYL7HYDROXYCHROMEN4ONE
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)CN(C)C)O
CCc1cc2c(=O)c(coc2c(c1(O))C(NH+)(C)C)c1nc2c((nH)1)cccc2
InChI=1SC21H21N3O3c141291319(26)15(212216756817(16)2321)112720(13)14(18(12)25)1024(2)3h591125H410H213H3(H2223)
ZINC870793

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Available files

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