Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-(quinoxalin-6-yl)propanoate
Catalog ID
STL492548
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc2c(c1)nccn2
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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 C29H30N4O6 MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O6/c1-37-21-6-4-20(5-7-21)33-13-11-32(12-14-33)18-22-16-26(34)28(36)29(39-22)23(17-27(35)38-2)19-3-8-24-25(15-19)31-10-9-30-24/h3-10,15-16,23,36H,11-14,17-18H2,1-2H3InChIKey
KPURPVKOZSKWSF-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC5=NC=CN=C5C=C4)O
InChI=1SC29H30N4O6c137216420(5721)33131132(121433)18221626(34)28(36)29(3922)23(1727(35)382)19382425(1519)311093024h31015162336H11141718H212H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(quinoxalin6yl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3quinoxalin6ylpropanoate
MFCD29057473
ZINC000253408317
ZINC000253408320
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