Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-8-[(3-methylpiperidinium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Catalog ID
STL147654
SMILES CC1CCC[NH+](C1)Cc1c([O-])c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1
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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 C24H26ClNO3 MW 411.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClNO3/c1-15-7-6-10-26(13-15)14-20-22(27)21(25)12-18-16(2)19(24(28)29-23(18)20)11-17-8-4-3-5-9-17/h3-5,8-9,12,15,27H,6-7,10-11,13-14H2,1-2H3InChIKey
IMSTWSGOWCZXAJ-UHFFFAOYSA-NSynonyms
585550-19-23BENZYL6CHLORO4METHYL8((3METHYLPIPERIDIN1IUM1YL)METHYL)2OXOCHROMEN7OLATE
3benzyl6chloro4methyl8((3methylpiperidinium1yl)methyl)2oxo2Hchromen7olate
3BENZYL6CHLORO7HYDROXY4METHYL8((3METHYLPIPERIDIN1YL)METHYL)CHROMEN2ONE
585550192
CC1CCC(NH+)(C1)Cc1c((O))c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1
CC1CCCN(C1)CC2=C3C(=CC(=C2O)Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C
InChI=1SC24H26ClNO3c115761026(1315)142022(27)21(25)121816(2)19(24(28)2923(18)20)11178435917h3589121527H6710111314H212H3
MFCD04028008
ZINC000020328637
ZINC000020328643
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