Vitas-M small molecule compound
methyl N-[(1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl)carbonyl]-D-alaninate
Catalog ID
STK635242
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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/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/h3,5-8,11-14,17,21H,4,9-10,15-16H2,1-2H3,(H,26,28)/t17-,21?/m1/s1InChIKey
LYOIPFIEYWFLPY-OQHSHRKDSA-NSynonyms
(2R)methyl2(1oxo2phenyl24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
CC(C(=O)OC)NC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4=CC=CC=C4
COC(=O)(C@H)(NC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)c1ccccc1)C
InChI=1SC25H28N2O4c117(24(30)312)2622(28)211913781420(19)23(29)27(18115361218)25(21)1594101625h35811141721H49101516H212H3(H2628)t1721?m1s1
methyl(2R)2((1oxo2phenylspiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methylN((1oxo2phenyl14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)Dalaninate
MFCD18160660
ZINC000020727989
ZINC000020727993
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