Vitas-M small molecule compound
methyl 3-(3,4-difluorophenyl)-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL494537
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(c(c1)F)F
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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 C27H28F2N2O6 MW 514.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28F2N2O6/c1-35-19-6-4-18(5-7-19)31-11-9-30(10-12-31)16-20-14-24(32)26(34)27(37-20)21(15-25(33)36-2)17-3-8-22(28)23(29)13-17/h3-8,13-14,21,34H,9-12,15-16H2,1-2H3InChIKey
SCSGTOUAMKLAGN-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC(=C(C=C4)F)F)O
InChI=1SC27H28F2N2O6c135196418(5719)3111930(101231)16201424(32)26(34)27(3720)21(1525(33)362)173822(28)23(29)1317h3813142134H9121516H212H3
methyl3(34difluorophenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(34difluorophenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
MFCD29058264
ZINC000253412809
ZINC000253412810
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