Vitas-M small molecule compound
6-chloro-3-ethyl-4-methyl-8-[(3-methylpiperidinium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Catalog ID
STL055978
SMILES CCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCC(C1)C)[O-])Cl
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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 C19H24ClNO3 MW 349.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24ClNO3/c1-4-13-12(3)14-8-16(20)17(22)15(18(14)24-19(13)23)10-21-7-5-6-11(2)9-21/h8,11,22H,4-7,9-10H2,1-3H3InChIKey
IOJVXSUWACTTBY-UHFFFAOYSA-NSynonyms
701932-36-76CHLORO3ETHYL4METHYL8((3METHYLPIPERIDIN1IUM1YL)METHYL)2OXOCHROMEN7OLATE
6chloro3ethyl4methyl8((3methylpiperidinium1yl)methyl)2oxo2Hchromen7olate
6CHLORO3ETHYL7HYDROXY4METHYL8((3METHYLPIPERIDIN1YL)METHYL)CHROMEN2ONE
701932367
CCC1=C(C2=CC(=C(C(=C2OC1=O)C(NH+)3CCCC(C3)C)(O))Cl)C
CCc1c(=O)oc2c(c1C)cc(c(c2C(NH+)1CCCC(C1)C)(O))Cl
InChI=1SC19H24ClNO3c141312(3)14816(20)17(22)15(18(14)2419(13)23)102175611(2)921h81122H47910H213H3
MFCD04171694
ZINC000020362797
ZINC000020362799
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