Vitas-M small molecule compound
6-chloro-3-ethyl-8-[(2-ethylpiperidinium-1-yl)methyl]-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STL054572
SMILES CCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCCC1CC)[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 C20H26ClNO3 MW 363.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClNO3/c1-4-13-8-6-7-9-22(13)11-16-18(23)17(21)10-15-12(3)14(5-2)20(24)25-19(15)16/h10,13,23H,4-9,11H2,1-3H3InChIKey
PFDDGUWIRTVZEM-UHFFFAOYSA-NSynonyms
847035-01-26CHLORO3ETHYL8((2ETHYLPIPERIDIN1IUM1YL)METHYL)4METHYL2OXOCHROMEN7OLATE
6CHLORO3ETHYL8((2ETHYLPIPERIDIN1YL)METHYL)7HYDROXY4METHYLCHROMEN2ONE
6chloro3ethyl8((2ethylpiperidinium1yl)methyl)4methyl2oxo2Hchromen7olate
847035012
CCc1c(=O)oc2c(c1C)cc(c(c2C(NH+)1CCCCC1CC)(O))Cl
CCC1CCCC(NH+)1CC2=C3C(=CC(=C2(O))Cl)C(=C(C(=O)O3)CC)C
InChI=1SC20H26ClNO3c1413867922(13)111618(23)17(21)101512(3)14(52)20(24)2519(15)16h101323H4911H213H3
MFCD04178140
ZINC000020393895
ZINC000020393898
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