Vitas-M small molecule compound
ethyl 4-(3'-benzyl-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
STL437420
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(Br)ccc1N1C2CC(CC1)Cc1ccccc1)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 C32H32BrN3O3 MW 586.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32BrN3O3/c1-3-39-30(37)24-9-12-27(13-10-24)36-31(38)32(21(2)34-36)20-25-19-26(33)11-14-28(25)35-16-15-23(18-29(32)35)17-22-7-5-4-6-8-22/h4-14,19,23,29H,3,15-18,20H2,1-2H3InChIKey
YWXYIMIYSKMYTD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)Br)N5C3CC(CC5)CC6=CC=CC=C6)C(=N2)C
ethyl4(3benzyl8bromo3methyl5oxo2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)1(5H)yl)benzoate
ethyl4(3benzyl8bromo3methyl5oxospiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)1yl)benzoate
InChI=1SC32H32BrN3O3c133930(37)2491227(131024)3631(38)32(21(2)3436)20251926(33)111428(25)35161523(1829(32)35)17227546822h414192329H3151820H212H3
MFCD09992162
ZINC000101391656
ZINC000248341417
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