Vitas-M small molecule compound
9'-chloro-3'-(4-methoxyphenyl)-2,2-dimethyl-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrazino[1,2-a]quinoline]-4,6-dione
Catalog ID
STL441383
SMILES COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2cc(Cl)cc3)C(=O)OC(OC1=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 C24H25ClN2O5 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O5/c1-23(2)31-21(28)24(22(29)32-23)13-15-4-5-16(25)12-19(15)27-11-10-26(14-20(24)27)17-6-8-18(30-3)9-7-17/h4-9,12,20H,10-11,13-14H2,1-3H3InChIKey
AVBDJXUBMUCWAQ-UHFFFAOYSA-NSynonyms
9chloro3(4methoxyphenyl)22dimethyl2344atetrahydro1H6Hspiro(13dioxane55pyrazino(12a)quinoline)46dione
9chloro3(4methoxyphenyl)22dimethylspiro(13dioxane55244a6tetrahydro1Hpyrazino(12a)quinoline)46dione
CC1(OC(=O)C2(CC3=C(C=C(C=C3)Cl)N4C2CN(CC4)C5=CC=C(C=C5)OC)C(=O)O1)C
InChI=1SC24H25ClN2O5c123(2)3121(28)24(22(29)3223)13154516(25)1219(15)27111026(1420(24)27)176818(303)9717h491220H10111314H213H3
MFCD08060250
ZINC000008773658
ZINC000008773660
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