Vitas-M small molecule compound
9'-chloro-3'-(2-methoxyphenyl)-4,4-dimethyl-2',3',4',4a'-tetrahydro-1'H,2H,6H,6'H-spiro[cyclohexane-1,5'-pyrazino[1,2-a]quinoline]-2,6-dione
Catalog ID
STL441369
SMILES COc1ccccc1N1CCN2C(C1)C1(Cc3c2cc(Cl)cc3)C(=O)CC(CC1=O)(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 C26H29ClN2O3 MW 452.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O3/c1-25(2)14-23(30)26(24(31)15-25)13-17-8-9-18(27)12-20(17)29-11-10-28(16-22(26)29)19-6-4-5-7-21(19)32-3/h4-9,12,22H,10-11,13-16H2,1-3H3InChIKey
YDPCRNHKIVNNII-UHFFFAOYSA-NSynonyms
9chloro3(2methoxyphenyl)44dimethyl2344atetrahydro1H2H6H6Hspiro(cyclohexane15pyrazino(12a)quinoline)26dione
9chloro3(2methoxyphenyl)55dimethylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline52cyclohexane)13dione
CC1(CC(=O)C2(CC3=C(C=C(C=C3)Cl)N4C2CN(CC4)C5=CC=CC=C5OC)C(=O)C1)C
InChI=1SC26H29ClN2O3c125(2)1423(30)26(24(31)1525)13178918(27)1220(17)29111028(1622(26)29)19645721(19)323h491222H10111316H213H3
MFCD08060239
ZINC000008773632
ZINC000008773633
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