Vitas-M small molecule compound
3-(3,5-difluorophenyl)-8-({[3-(morpholin-4-yl)propyl]ammonio}methyl)-2-oxo-2H-chromen-7-olate
Catalog ID
STK633930
SMILES Fc1cc(F)cc(c1)c1cc2ccc(c(c2oc1=O)C[NH2+]CCCN1CCOCC1)[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 C23H24F2N2O4 MW 430.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24F2N2O4/c24-17-10-16(11-18(25)13-17)19-12-15-2-3-21(28)20(22(15)31-23(19)29)14-26-4-1-5-27-6-8-30-9-7-27/h2-3,10-13,26,28H,1,4-9,14H2InChIKey
VQSCLQAYWKGPRJ-UHFFFAOYSA-NSynonyms
3(35difluorophenyl)7hydroxy8(((3morpholinopropyl)amino)methyl)2Hchromen2onedihydrochloride
3(35difluorophenyl)7hydroxy8((3morpholin4ylpropylamino)methyl)chromen2one
3(35difluorophenyl)8(((3(morpholin4yl)propyl)ammonio)methyl)2oxo2Hchromen7olate
C1COCCN1CCCNCC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=CC(=C4)F)F)O
Fc1cc(F)cc(c1)c1cc2ccc(c(c2oc1=O)C(NH2+)CCCN1CCOCC1)(O)
Fc1cc(F)cc(c1)c1cc2ccc(c(c2oc1=O)CNCCCN1CCOCC1)OClCl
InChI=1SC23H24F2N2O4c24171016(1118(25)1317)1912152321(28)20(22(15)3123(19)29)14264152768309727h2310132628H14914H2
MFCD09857619
ZINC000013730929
ZINC13730929
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