Vitas-M small molecule compound
8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(3-methoxyphenoxy)-4-oxo-4H-chromen-7-olate
Catalog ID
STL050954
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)Oc1cccc(c1)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 C23H26N2O6 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O6/c1-29-16-3-2-4-17(13-16)31-21-15-30-23-18(22(21)28)5-6-20(27)19(23)14-25-9-7-24(8-10-25)11-12-26/h2-6,13,15,26-27H,7-12,14H2,1H3InChIKey
ZUPGQWRPDMTWDN-UHFFFAOYSA-NSynonyms
844836-44-87HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)3(3METHOXYPHENOXY)CHROMEN4ONE
8((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(3methoxyphenoxy)4oxo4Hchromen7olate
8((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(3methoxyphenoxy)4oxochromen7olate
844836448
COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C(NH+)4CCN(CC4)CCO)(O)
InChI=1SC23H26N2O6c1291632417(1316)312115302318(22(21)28)5620(27)19(23)14259724(81025)111226h2613152627H71214H21H3
MFCD04164118
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1occ(c2=O)Oc1cccc(c1)OC
ZINC000019371191
ZINC19371191
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