Vitas-M small molecule compound
ethyl 4-(3'-benzyl-9'-chloro-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
STL437412
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1ccc(cc1N1C2CC(CC1)Cc1ccccc1)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 C32H32ClN3O3 MW 542.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32ClN3O3/c1-3-39-30(37)24-10-13-27(14-11-24)36-31(38)32(21(2)34-36)20-25-9-12-26(33)19-28(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
FVDCFOAMLHDEPL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=C(C=C4)Cl)N5C3CC(CC5)CC6=CC=CC=C6)C(=N2)C
ethyl4(3benzyl9chloro3methyl5oxo2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)1(5H)yl)benzoate
ethyl4(3benzyl9chloro3methyl5oxospiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)1yl)benzoate
InChI=1SC32H32ClN3O3c133930(37)24101327(141124)3631(38)32(21(2)3436)202591226(33)1928(25)35161523(1829(32)35)17227546822h414192329H3151820H212H3
MFCD09992154
ZINC000101391681
ZINC000250466300
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