Vitas-M small molecule compound
9-chloro-3-(4-methoxyphenyl)-5'-methyl-2'-(4-methylphenyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437354
SMILES COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2cc(Cl)cc3)C(=NN(C1=O)c1ccc(cc1)C)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 C29H29ClN4O2 MW 501.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4O2/c1-19-4-8-24(9-5-19)34-28(35)29(20(2)31-34)17-21-6-7-22(30)16-26(21)33-15-14-32(18-27(29)33)23-10-12-25(36-3)13-11-23/h4-13,16,27H,14-15,17-18H2,1-3H3InChIKey
UWUPDEOBNQWGSH-UHFFFAOYSA-NSynonyms
9chloro3(4methoxyphenyl)5methyl2(4methylphenyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
9chloro3(4methoxyphenyl)5methyl2(4methylphenyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=C(C=C4)Cl)N5C3CN(CC5)C6=CC=C(C=C6)OC)C(=N2)C
InChI=1SC29H29ClN4O2c1194824(9519)3428(35)29(20(2)3134)17216722(30)1626(21)33151432(1827(29)33)23101225(363)131123h4131627H14151718H213H3
MFCD09992097
ZINC000033428974
ZINC000226813675
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