Vitas-M small molecule compound
8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK567904
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccccc1OC)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/c1-33-19-5-3-2-4-15(19)20-21(32)16-6-7-18(31)17(22(16)34-23(20)24(25,26)27)14-29-10-8-28(9-11-29)12-13-30/h2-7,30-31H,8-14H2,1H3InChIKey
RHGHTSSGIIZCFP-UHFFFAOYSA-NSynonyms
843671-79-48((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(2methoxyphenyl)4oxo2(trifluoromethyl)4Hchromen7olate
COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C(NH+)4CCN(CC4)CCO)(O))C(F)(F)F
InChI=1SC24H25F3N2O5c13319532415(19)2021(32)166718(31)17(22(16)3423(20)24(2526)27)142910828(91129)121330h273031H814H21H3
MFCD04163276
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(c(c2=O)c1ccccc1OC)C(F)(F)F
ZINC000020358360
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