Vitas-M small molecule compound
3'-benzyl-9'-chloro-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
STL441368
SMILES Clc1ccc2c(c1)N1CCN(CC1C1(C2)C(=O)CC(CC1=O)(C)C)Cc1ccccc1
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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 C26H29ClN2O2 MW 436.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O2/c1-25(2)14-23(30)26(24(31)15-25)13-19-8-9-20(27)12-21(19)29-11-10-28(17-22(26)29)16-18-6-4-3-5-7-18/h3-9,12,22H,10-11,13-17H2,1-2H3InChIKey
AJVZIVMLCWYTSE-UHFFFAOYSA-NSynonyms
3benzyl9chloro44dimethyl2344atetrahydro1H2H6H6Hspiro(cyclohexane15pyrazino(12a)quinoline)26dione
3benzyl9chloro55dimethylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline52cyclohexane)13dione
CC1(CC(=O)C2(CC3=C(C=C(C=C3)Cl)N4C2CN(CC4)CC5=CC=CC=C5)C(=O)C1)C
InChI=1SC26H29ClN2O2c125(2)1423(30)26(24(31)1525)13198920(27)1221(19)29111028(1722(26)29)16186435718h391222H10111317H212H3
MFCD08060238
ZINC000025183454
ZINC000035999480
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