Vitas-M small molecule compound
ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
Catalog ID
STK571328
SMILES CCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2CN1CCN(CC1)CC)O
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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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-4-27-12-14-28(15-13-27)16-21-22(29)11-10-20-23(30)24(17(3)33-25(20)21)34-19-8-6-18(7-9-19)26(31)32-5-2/h6-11,29H,4-5,12-16H2,1-3H3InChIKey
SJUNCJBNVRNCEB-UHFFFAOYSA-NSynonyms
844451-73-63(4ethoxycarbonylphenoxy)8((4ethylpiperazin1ium1yl)methyl)2methyl4oxochromen7olate
844451736
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)(O)
ethyl4((8((4ethylpiperazin1yl)methyl)7hydroxy2methyl4oxo4Hchromen3yl)oxy)benzoate
ETHYL4(8((4ETHYLPIPERAZIN1YL)METHYL)7HYDROXY2METHYL4OXOCHROMEN3YL)OXYBENZOATE
InChI=1SC26H30N2O6c1427121428(151327)162122(29)11102023(30)24(17(3)3325(20)21)34198618(7919)26(31)3252h61129H451216H213H3
MFCD04155947
ZINC000020567540
ZINC20567540
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