Vitas-M small molecule compound
methyl N-[(2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl)carbonyl]alaninate
Catalog ID
STL318729
SMILES COC(=O)C(NC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1)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)21-19-12-6-7-13-20(19)23(29)27(25(21)14-8-9-15-25)16-18-10-4-3-5-11-18/h3-7,10-13,17,21H,8-9,14-16H2,1-2H3,(H,26,28)InChIKey
ROEIHJVONRHTHS-UHFFFAOYSA-NSynonyms
(2S)methyl2(2benzyl1oxo24dihydro1Hspiro(cyclopentane13isoquinolin)4ylcarboxamido)propanoate
CC(C(=O)OC)NC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCC3)CC4=CC=CC=C4
COC(=O)(C@@H)(NC(=O)C1c2ccccc2C(=O)N(C21CCCC2)Cc1ccccc1)C
InChI=1SC25H28N2O4c117(24(30)312)2622(28)211912671320(19)23(29)27(25(21)14891525)1618104351118h3710131721H891416H212H3(H2628)
methyl2((2benzyl1oxospiro(4Hisoquinoline31cyclopentane)4carbonyl)amino)propanoate
methylN((2benzyl1oxo14dihydro2Hspiro(cyclopentane13isoquinolin)4yl)carbonyl)alaninate
MFCD28031459
ZINC000079493540
ZINC000095479526
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