Vitas-M small molecule compound
8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK847485
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc(cc1)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 C24H25F3N2O6 MW 494.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25F3N2O6/c1-33-15-2-4-16(5-3-15)34-22-20(32)17-6-7-19(31)18(21(17)35-23(22)24(25,26)27)14-29-10-8-28(9-11-29)12-13-30/h2-7,30-31H,8-14H2,1H3InChIKey
ZOVVQKMQFSGUOE-UHFFFAOYSA-NSynonyms
846064-99-18((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(4methoxyphenoxy)4oxo2(trifluoromethyl)4Hchromen7olate
846064991
COC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCO)O)C(F)(F)F
InChI=1SC24H25F3N2O6c133152416(5315)342220(32)176719(31)18(21(17)3523(22)24(2526)27)142910828(91129)121330h273031H814H21H3
MFCD04173982
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(c(c2=O)Oc1ccc(cc1)OC)C(F)(F)F
ZINC000020392581
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