Vitas-M small molecule compound

methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)propanoate

Catalog ID
STL490978
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1cnn(c1)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 C25H30N4O6 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O6/c1-27-15-17(14-26-27)21(13-23(31)34-3)25-24(32)22(30)12-20(35-25)16-28-8-10-29(11-9-28)18-4-6-19(33-2)7-5-18/h4-7,12,14-15,21,32H,8-11,13,16H2,1-3H3
InChIKey
UILKFFFGECYTGO-UHFFFAOYSA-N
Synonyms

CN1C=C(C=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CN3CCN(CC3)C4=CC=C(C=C4)OC)O
InChI=1SC25H30N4O6c1271517(142627)21(1323(31)343)2524(32)22(30)1220(3525)162881029(11928)184619(332)7518h471214152132H8111316H213H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3(1methylpyrazol4yl)propanoate
MFCD29057945
ZINC000253413272
ZINC000253413273

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Available files

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