Vitas-M small molecule compound
ethyl 4-(3'-benzyl-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
STL437404
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1ccccc1N1C2CC(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 C32H33N3O3 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O3/c1-3-38-30(36)25-13-15-27(16-14-25)35-31(37)32(22(2)33-35)21-26-11-7-8-12-28(26)34-18-17-24(20-29(32)34)19-23-9-5-4-6-10-23/h4-16,24,29H,3,17-21H2,1-2H3InChIKey
AIFIMNLSXRPGEV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=CC=CC=C4N5C3CC(CC5)CC6=CC=CC=C6)C(=N2)C
ethyl4(3benzyl3methyl5oxo2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)1(5H)yl)benzoate
ethyl4(3benzyl3methyl5oxospiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)1yl)benzoate
InChI=1SC32H33N3O3c133830(36)25131527(161425)3531(37)32(22(2)3335)212611781228(26)34181724(2029(32)34)192395461023h4162429H31721H212H3
MFCD09992146
ZINC000025184890
ZINC000250462797
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