Vitas-M small molecule compound
methyl 3-(3-chloro-4-hydroxyphenyl)-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL547326
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(c(c1)Cl)O
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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 C27H29ClN2O7 MW 528.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O7/c1-35-19-6-4-18(5-7-19)30-11-9-29(10-12-30)16-20-14-24(32)26(34)27(37-20)21(15-25(33)36-2)17-3-8-23(31)22(28)13-17/h3-8,13-14,21,31,34H,9-12,15-16H2,1-2H3InChIKey
RFTUDYTVYFBVEO-UHFFFAOYSA-NSynonyms
110206157
InChI=1SC27H29ClN2O7c135196418(5719)3011929(101230)16201424(32)26(34)27(3720)21(1525(33)362)173823(31)22(28)1317h381314213134H9121516H212H3
methyl3(3chloro4hydroxyphenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(3chloro4hydroxyphenyl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
MFCD29055558
ZINC000253412513
ZINC000253412514
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