Vitas-M small molecule compound
methyl 3-[5-(4-bromophenyl)furan-2-yl]-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL494776
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(o1)c1ccc(cc1)Br
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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 C31H31BrN2O7 MW 623.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN2O7/c1-38-23-9-7-22(8-10-23)34-15-13-33(14-16-34)19-24-17-26(35)30(37)31(40-24)25(18-29(36)39-2)28-12-11-27(41-28)20-3-5-21(32)6-4-20/h3-12,17,25,37H,13-16,18-19H2,1-2H3InChIKey
IXRBRLKFEMPFQL-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=CC=C(O4)C5=CC=C(C=C5)Br)O
InChI=1SC31H31BrN2O7c138239722(81023)34151333(141634)19241726(35)30(37)31(4024)25(1829(36)392)28121127(4128)203521(32)6420h312172537H13161819H212H3
methyl3(5(4bromophenyl)furan2yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
methyl3(5(4bromophenyl)furan2yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)propanoate
MFCD29057292
ZINC000253406421
ZINC000253406423
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