Vitas-M small molecule compound
4-butyl-6-chloro-8-[(3-methylpiperidinium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Catalog ID
STL041961
SMILES CCCCc1cc(=O)oc2c1cc(Cl)c(c2C[NH+]1CCCC(C1)C)[O-]
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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 C20H26ClNO3 MW 363.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClNO3/c1-3-4-7-14-9-18(23)25-20-15(14)10-17(21)19(24)16(20)12-22-8-5-6-13(2)11-22/h9-10,13,24H,3-8,11-12H2,1-2H3InChIKey
CFJJUQDNDHRZJU-UHFFFAOYSA-NSynonyms
701945-05-34BUTYL6CHLORO7HYDROXY8((3METHYLPIPERIDIN1YL)METHYL)CHROMEN2ONE
4BUTYL6CHLORO8((3METHYLPIPERIDIN1IUM1YL)METHYL)2OXOCHROMEN7OLATE
4butyl6chloro8((3methylpiperidinium1yl)methyl)2oxo2Hchromen7olate
701945053
CCCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH+)3CCCC(C3)C
CCCCc1cc(=O)oc2c1cc(Cl)c(c2C(NH+)1CCCC(C1)C)(O)
InChI=1SC20H26ClNO3c134714918(23)252015(14)1017(21)19(24)16(20)122285613(2)1122h9101324H381112H212H3
MFCD04183630
ZINC000020362926
ZINC000020362928
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