Vitas-M small molecule compound
8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-chromen-7-olate
Catalog ID
STK595326
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(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 C24H26N2O7 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O7/c1-31-24(30)16-2-4-17(5-3-16)33-21-15-32-23-18(22(21)29)6-7-20(28)19(23)14-26-10-8-25(9-11-26)12-13-27/h2-7,15,27-28H,8-14H2,1H3InChIKey
SPVDFCDXYYQCHN-UHFFFAOYSA-NSynonyms
847380-45-48((4(2hydroxyethyl)piperazin1ium1yl)methyl)3(4(methoxycarbonyl)phenoxy)4oxo4Hchromen7olate
COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCO)O
InChI=1SC24H26N2O7c13124(30)162417(5316)332115322318(22(21)29)6720(28)19(23)142610825(91126)121327h27152728H814H21H3
MFCD04181787
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1occ(c2=O)Oc1ccc(cc1)C(=O)OC
ZINC000020395367
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