Vitas-M small molecule compound
ethyl 4-[3'-methyl-5'-oxo-3-(pyridin-2-yl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate
Catalog ID
STL437408
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ccccn1)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 C29H29N5O3 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O3/c1-3-37-27(35)21-11-13-23(14-12-21)34-28(36)29(20(2)31-34)18-22-8-4-5-9-24(22)33-17-16-32(19-25(29)33)26-10-6-7-15-30-26/h4-15,25H,3,16-19H2,1-2H3InChIKey
WJJVOBVNXCFQJH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=CC=CC=C4N5C3CN(CC5)C6=CC=CC=N6)C(=N2)C
ethyl4(3methyl5oxo3(pyridin2yl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(3methyl5oxo3pyridin2ylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC29H29N5O3c133727(35)21111323(141221)3428(36)29(20(2)3134)1822845924(22)33171632(1925(29)33)261067153026h41525H31619H212H3
MFCD09992150
ZINC000025184939
ZINC000248322457
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