Vitas-M small molecule compound
3-benzyl-8-bromo-2'-(4-chlorophenyl)-5'-methyl-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437394
SMILES Brc1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccccc2)C(=NN(C1=O)c1ccc(cc1)Cl)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 C28H26BrClN4O MW 549.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrClN4O/c1-19-28(27(35)34(31-19)24-10-8-23(30)9-11-24)16-21-15-22(29)7-12-25(21)33-14-13-32(18-26(28)33)17-20-5-3-2-4-6-20/h2-12,15,26H,13-14,16-18H2,1H3InChIKey
CSTFUZXEARCNQU-UHFFFAOYSA-NSynonyms
3benzyl8bromo2(4chlorophenyl)5methyl2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3benzyl8bromo2(4chlorophenyl)5methylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)Br)N4C2CN(CC4)CC5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI=1SC28H26BrClN4Oc11928(27(35)34(3119)2410823(30)91124)16211522(29)71225(21)33141332(1826(28)33)17205324620h2121526H13141618H21H3
MFCD09992136
ZINC000101391720
ZINC000103405497
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