Vitas-M small molecule compound
ethyl 4-(8'-bromo-3-methyl-5-oxo-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[pyrazole-4,5'-pyrido[1,2-a]quinolin]-1(5H)-yl)benzoate
Catalog ID
STL437418
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(Br)ccc1N1C2CCCC1)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 C25H26BrN3O3 MW 496.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O3/c1-3-32-23(30)17-7-10-20(11-8-17)29-24(31)25(16(2)27-29)15-18-14-19(26)9-12-21(18)28-13-5-4-6-22(25)28/h7-12,14,22H,3-6,13,15H2,1-2H3InChIKey
AMIFHIMNIDLZCQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)Br)N5C3CCCC5)C(=N2)C
ethyl4(8bromo3methyl5oxo2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)1(5H)yl)benzoate
ethyl4(8bromo3methyl5oxospiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)1yl)benzoate
InChI=1SC25H26BrN3O3c133223(30)1771020(11817)2924(31)25(16(2)2729)15181419(26)91221(18)281354622(25)28h7121422H361315H212H3
MFCD09992160
ZINC000025184983
ZINC000250462807
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