Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate

Catalog ID
STK641160
SMILES CCc1cc2c(=O)c(coc2c(c1[O-])C[NH+]1CCCCC1C)c1ccc2c(c1)OCCO2

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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 C26H29NO5 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5/c1-3-17-12-19-25(29)21(18-7-8-22-23(13-18)31-11-10-30-22)15-32-26(19)20(24(17)28)14-27-9-5-4-6-16(27)2/h7-8,12-13,15-16,28H,3-6,9-11,14H2,1-2H3
InChIKey
SPTAAUCMDXSGHU-UHFFFAOYSA-N
Synonyms
610759-68-7
3(23DIHYDRO14BENZODIOXIN6YL)6ETHYL7HYDROXY8((2METHYL1PIPERIDINYL)METHYL)4HCHROMEN4ONE
3(23DIHYDRO14BENZODIOXIN6YL)6ETHYL7HYDROXY8((2METHYLPIPERIDIN1YL)METHYL)CHROMEN4ONE
3(23dihydro14benzodioxin6yl)6ethyl8((2methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
3(23DIHYDROBENZO(B)(14)DIOXIN6YL)6ETHYL7HYDROXY8((2METHYLPIPERIDIN1YL)METHYL)4HCHROMEN4ONE
3(2H3HBENZO(34E)14DIOXAN6YL)6ETHYL7HYDROXY8((2METHYLPIPERIDYL)METHYL)CHROMEN4ONE
610759687
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)CN5CCCCC5C)O
CCc1cc2c(=O)c(coc2c(c1(O))C(NH+)1CCCCC1C)c1ccc2c(c1)OCCO2
InChI=1SC26H29NO5c1317121925(29)21(18782223(1318)3111103022)153226(19)20(24(17)28)1427954616(27)2h781213151628H3691114H212H3
MFCD03670077
ZINC000009075318
ZINC000009075319

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Available files

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