Vitas-M small molecule compound
3-benzyl-8-bromo-5'-methyl-2'-(4-methylphenyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437364
SMILES Brc1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccccc2)C(=NN(C1=O)c1ccc(cc1)C)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 C29H29BrN4O MW 529.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN4O/c1-20-8-11-25(12-9-20)34-28(35)29(21(2)31-34)17-23-16-24(30)10-13-26(23)33-15-14-32(19-27(29)33)18-22-6-4-3-5-7-22/h3-13,16,27H,14-15,17-19H2,1-2H3InChIKey
ZRXMRYXHPCGGLA-UHFFFAOYSA-NSynonyms
3benzyl8bromo5methyl2(4methylphenyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3benzyl8bromo5methyl2(4methylphenyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)Br)N5C3CN(CC5)CC6=CC=CC=C6)C(=N2)C
InChI=1SC29H29BrN4Oc12081125(12920)3428(35)29(21(2)3134)17231624(30)101326(23)33151432(1927(29)33)18226435722h3131627H14151719H212H3
MFCD09992107
ZINC000101391801
ZINC000103899902
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