Vitas-M small molecule compound
ethyl 4-[3-(3-chlorophenyl)-3'-methyl-5'-oxo-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate
Catalog ID
STL437407
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1cccc(c1)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 C30H29ClN4O3 MW 529.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN4O3/c1-3-38-28(36)21-11-13-24(14-12-21)35-29(37)30(20(2)32-35)18-22-7-4-5-10-26(22)34-16-15-33(19-27(30)34)25-9-6-8-23(31)17-25/h4-14,17,27H,3,15-16,18-19H2,1-2H3InChIKey
HOSHTYJXLZIHTI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=CC=CC=C4N5C3CN(CC5)C6=CC(=CC=C6)Cl)C(=N2)C
ethyl4(3(3chlorophenyl)3methyl5oxo2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(3(3chlorophenyl)3methyl5oxospiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC30H29ClN4O3c133828(36)21111324(141221)3529(37)30(20(2)3235)18227451026(22)34161533(1927(30)34)2596823(31)1725h4141727H315161819H212H3
MFCD09992149
ZINC000025184926
ZINC000248288263
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