Vitas-M small molecule compound
8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-[4-(methoxycarbonyl)phenoxy]-2-methyl-4-oxo-4H-chromen-7-olate
Catalog ID
STK585054
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccc(cc1)C(=O)OC
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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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-4-26-11-13-27(14-12-26)15-20-21(28)10-9-19-22(29)23(16(2)32-24(19)20)33-18-7-5-17(6-8-18)25(30)31-3/h5-10,28H,4,11-15H2,1-3H3InChIKey
YSDLBYBDXFPTGQ-UHFFFAOYSA-NSynonyms
845805-54-18((4ethylpiperazin1ium1yl)methyl)3(4(methoxycarbonyl)phenoxy)2methyl4oxo4Hchromen7olate
8((4ethylpiperazin1ium1yl)methyl)3(4methoxycarbonylphenoxy)2methyl4oxochromen7olate
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(C)c(c2=O)Oc1ccc(cc1)C(=O)OC
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C)(O)
InChI=1SC25H28N2O6c1426111327(141226)152021(28)1091922(29)23(16(2)3224(19)20)33187517(6818)25(30)313h51028H41115H213H3
MFCD04170125
ZINC000020391172
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