Vitas-M small molecule compound
3-(4-chlorophenyl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK570916
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc(cc1)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 C22H22ClNO3 MW 383.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO3/c1-14-3-2-10-24(11-14)12-18-20(25)9-8-17-21(26)19(13-27-22(17)18)15-4-6-16(23)7-5-15/h4-9,13-14,25H,2-3,10-12H2,1H3InChIKey
CTFKKFIZHGGSNR-UHFFFAOYSA-NSynonyms
685135-09-53(4CHLOROPHENYL)7HYDROXY8((3METHYLPIPERIDIN1YL)METHYL)CHROMEN4ONE
3(4CHLOROPHENYL)7HYDROXY8((3METHYLPIPERIDYL)METHYL)CHROMEN4ONE
3(4CHLOROPHENYL)8((3METHYLPIPERIDIN1IUM1YL)METHYL)4OXOCHROMEN7OLATE
3(4chlorophenyl)8((3methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1occ(c2=O)c1ccc(cc1)Cl
CC1CCC(NH+)(C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)(O)
InChI=1SC22H22ClNO3c114321024(1114)121820(25)981721(26)19(132722(17)18)154616(23)7515h49131425H231012H21H3
MFCD03786402
ZINC000019793079
ZINC000019793080
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