Vitas-M small molecule compound
methyl 3-(4-cyanophenyl)-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL492760
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(cc1)C#N
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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 C28H29N3O6 MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6/c1-35-22-9-7-21(8-10-22)31-13-11-30(12-14-31)18-23-15-25(32)27(34)28(37-23)24(16-26(33)36-2)20-5-3-19(17-29)4-6-20/h3-10,15,24,34H,11-14,16,18H2,1-2H3InChIKey
VZOUJZWEKRJWRN-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC=C(C=C4)C#N)O
InChI=1SC28H29N3O6c135229721(81022)31131130(121431)18231525(32)27(34)28(3723)24(1626(33)362)205319(1729)4620h310152434H11141618H212H3
methyl3(4cyanophenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(4cyanophenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
MFCD29057531
ZINC000253413918
ZINC000253413927
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