Vitas-M small molecule compound
8-bromo-3-(4-methoxyphenyl)-5'-methyl-2'-phenyl-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437335
SMILES COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)Br)C(=NN(C1=O)c1ccccc1)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 C28H27BrN4O2 MW 531.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN4O2/c1-19-28(27(34)33(30-19)23-6-4-3-5-7-23)17-20-16-21(29)8-13-25(20)32-15-14-31(18-26(28)32)22-9-11-24(35-2)12-10-22/h3-13,16,26H,14-15,17-18H2,1-2H3InChIKey
QKMRHQPUQRFXOZ-UHFFFAOYSA-NSynonyms
8bromo3(4methoxyphenyl)5methyl2phenyl2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
8bromo3(4methoxyphenyl)5methyl2phenylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)Br)N4C2CN(CC4)C5=CC=C(C=C5)OC)C6=CC=CC=C6
InChI=1SC28H27BrN4O2c11928(27(34)33(3019)236435723)17201621(29)81325(20)32151431(1826(28)32)2291124(352)121022h3131626H14151718H212H3
MFCD09992078
ZINC000101391882
ZINC000226813843
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