Vitas-M small molecule compound
ethyl 4-(8-bromo-3,3'-dimethyl-5'-oxo-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl)benzoate
Catalog ID
STL437421
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(Br)ccc1N1C2CN(C)CC1)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 C25H27BrN4O3 MW 511.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN4O3/c1-4-33-23(31)17-5-8-20(9-6-17)30-24(32)25(16(2)27-30)14-18-13-19(26)7-10-21(18)29-12-11-28(3)15-22(25)29/h5-10,13,22H,4,11-12,14-15H2,1-3H3InChIKey
ZXKWAJAZDIDWSO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)Br)N5C3CN(CC5)C)C(=N2)C
ethyl4(8bromo33dimethyl5oxo2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(8bromo33dimethyl5oxospiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC25H27BrN4O3c143323(31)175820(9617)3024(32)25(16(2)2730)14181319(26)71021(18)29121128(3)1522(25)29h5101322H411121415H213H3
MFCD09992163
ZINC000025184999
ZINC000248341884
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