Vitas-M small molecule compound

methyl N-[(2'-cyclohexyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl)carbonyl]-L-alaninate

Catalog ID
STL544548
SMILES COC(=O)[C@@H](NC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)C1CCCCC1)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 C25H34N2O4 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O4/c1-17(24(30)31-2)26-22(28)21-19-13-7-8-14-20(19)23(29)27(18-11-5-3-6-12-18)25(21)15-9-4-10-16-25/h7-8,13-14,17-18,21H,3-6,9-12,15-16H2,1-2H3,(H,26,28)/t17-,21?/m0/s1
InChIKey
XVGCQEXIADDRKW-PBVYKCSPSA-N
Synonyms

(2S)methyl2(2cyclohexyl1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
91638357
COC(=O)(C@@H)(NC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)C1CCCCC1)C
InChI=1SC25H34N2O4c117(24(30)312)2622(28)211913781420(19)23(29)27(18115361218)25(21)1594101625h781314171821H369121516H212H3(H2628)t1721?m0s1
methyl(2~(S))2((2cyclohexyl1oxospiro(4~(H)isoquinoline31cyclohexane)4carbonyl)amino)propanoate
methylN((2cyclohexyl1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)Lalaninate
ZINC000217884227
ZINC000217884317

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Available files

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