Vitas-M small molecule compound
ethyl 4-[3'-methyl-5'-oxo-3-(pyrimidin-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
STL437409
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ncccn1)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 C28H28N6O3 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O3/c1-3-37-25(35)20-9-11-22(12-10-20)34-26(36)28(19(2)31-34)17-21-7-4-5-8-23(21)33-16-15-32(18-24(28)33)27-29-13-6-14-30-27/h4-14,24H,3,15-18H2,1-2H3InChIKey
PFHCKQJRTYUXCR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=CC=CC=C4N5C3CN(CC5)C6=NC=CC=N6)C(=N2)C
ethyl4(3methyl5oxo3(pyrimidin2yl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(3methyl5oxo3pyrimidin2ylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC28H28N6O3c133725(35)2091122(121020)3426(36)28(19(2)3134)1721745823(21)33161532(1824(28)33)2729136143027h41424H31518H212H3
MFCD09992151
ZINC000025184954
ZINC000248318851
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