Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-(thiophen-3-yl)propanoate
Catalog ID
STL494790
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccsc1
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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 C25H28N2O6S MW 484.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6S/c1-31-19-5-3-18(4-6-19)27-10-8-26(9-11-27)15-20-13-22(28)24(30)25(33-20)21(14-23(29)32-2)17-7-12-34-16-17/h3-7,12-13,16,21,30H,8-11,14-15H2,1-2H3InChIKey
ZDBIWLDHTXEKOO-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CSC=C4)O
InChI=1SC25H28N2O6Sc131195318(4619)2710826(91127)15201322(28)24(30)25(3320)21(1423(29)322)17712341617h371213162130H8111415H212H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(thiophen3yl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3thiophen3ylpropanoate
MFCD29057628
ZINC000253414939
ZINC000253414940
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