Vitas-M small molecule compound
3-[4-(ethoxycarbonyl)phenoxy]-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-methyl-4-oxo-4H-chromen-7-olate
Catalog ID
STK582512
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccc(cc1)C(=O)OCC
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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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-3-33-26(32)18-4-6-19(7-5-18)35-24-17(2)34-25-20(23(24)31)8-9-22(30)21(25)16-28-12-10-27(11-13-28)14-15-29/h4-9,29-30H,3,10-16H2,1-2H3InChIKey
SZOYHPVMOLWELH-UHFFFAOYSA-NSynonyms
846062-46-23(4(ethoxycarbonyl)phenoxy)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)2methyl4oxo4Hchromen7olate
3(4ethoxycarbonylphenoxy)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)2methyl4oxochromen7olate
CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C(NH+)4CCN(CC4)CCO)(O))C
InChI=1SC26H30N2O7c133326(32)184619(7518)352417(2)342520(23(24)31)8922(30)21(25)1628121027(111328)141529h492930H31016H212H3
MFCD04173593
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1oc(C)c(c2=O)Oc1ccc(cc1)C(=O)OCC
ZINC000020392430
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