Vitas-M small molecule compound
8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK589304
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1cccc(c1)OC)C(F)(F)F
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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 C24H25F3N2O5 MW 478.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25F3N2O5/c1-3-28-9-11-29(12-10-28)14-18-19(30)8-7-17-20(31)22(23(24(25,26)27)34-21(17)18)33-16-6-4-5-15(13-16)32-2/h4-8,13,30H,3,9-12,14H2,1-2H3InChIKey
LAPKHDJOWSOPDR-UHFFFAOYSA-NSynonyms
846590-42-98((4ethylpiperazin1ium1yl)methyl)3(3methoxyphenoxy)4oxo2(trifluoromethyl)4Hchromen7olate
8((4ETHYLPIPERAZIN1YL)METHYL)7HYDROXY3(3METHOXYPHENOXY)2(TRIFLUOROMETHYL)CHROMEN4ONE
8((4ETHYLPIPERAZINYL)METHYL)7HYDROXY3(3METHOXYPHENOXY)2(TRIFLUOROMETHYL)CHROMEN4ONE
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(c(c2=O)Oc1cccc(c1)OC)C(F)(F)F
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC=C4)OC)C(F)(F)F)O
InChI=1SC24H25F3N2O5c132891129(121028)141819(30)871720(31)22(23(24(2526)27)3421(17)18)331664515(1316)322h481330H391214H212H3
MFCD04175767
ZINC000020393142
ZINC20393142
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