Vitas-M small molecule compound
6-chloro-3-hexyl-4-methyl-8-[(3-methylpiperidinium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Catalog ID
STL036930
SMILES CCCCCCc1c(=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 C23H32ClNO3 MW 405.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32ClNO3/c1-4-5-6-7-10-17-16(3)18-12-20(24)21(26)19(22(18)28-23(17)27)14-25-11-8-9-15(2)13-25/h12,15,26H,4-11,13-14H2,1-3H3InChIKey
YTXMQFMTPUVPAO-UHFFFAOYSA-NSynonyms
840498-34-26CHLORO3HEXYL4METHYL8((3METHYLPIPERIDIN1IUM1YL)METHYL)2OXOCHROMEN7OLATE
6chloro3hexyl4methyl8((3methylpiperidinium1yl)methyl)2oxo2Hchromen7olate
6CHLORO3HEXYL7HYDROXY4METHYL8((3METHYLPIPERIDIN1YL)METHYL)CHROMEN2ONE
840498342
CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)CN3CCCC(C3)C)O)Cl)C
CCCCCCc1c(=O)oc2c(c1C)cc(c(c2C(NH+)1CCCC(C1)C)(O))Cl
InChI=1SC23H32ClNO3c14567101716(3)181220(24)21(26)19(22(18)2823(17)27)1425118915(2)1325h121526H4111314H213H3
MFCD04008599
ZINC000020266624
ZINC000020266627
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