Vitas-M small molecule compound
methyl 3-[2-(dimethylamino)quinolin-3-yl]-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL492866
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1cc2ccccc2nc1N(C)C
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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 C32H36N4O6 MW 572.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N4O6/c1-34(2)32-26(17-21-7-5-6-8-27(21)33-32)25(19-29(38)41-4)31-30(39)28(37)18-24(42-31)20-35-13-15-36(16-14-35)22-9-11-23(40-3)12-10-22/h5-12,17-18,25,39H,13-16,19-20H2,1-4H3InChIKey
HHEGZCBSKBMCBW-UHFFFAOYSA-NSynonyms
CN(C)C1=NC2=CC=CC=C2C=C1C(CC(=O)OC)C3=C(C(=O)C=C(O3)CN4CCN(CC4)C5=CC=C(C=C5)OC)O
InChI=1SC32H36N4O6c134(2)3226(1721756827(21)3332)25(1929(38)414)3130(39)28(37)1824(4231)2035131536(161435)2291123(403)121022h51217182539H13161920H214H3
methyl3(2(dimethylamino)quinolin3yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(2(dimethylamino)quinolin3yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
MFCD29058022
ZINC000253403629
ZINC000253403632
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