Vitas-M small molecule compound

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

Catalog ID
STL543756
SMILES COC(=O)[C@@H](NC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)CC(C)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 C23H32N2O4 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N2O4/c1-15(2)14-25-21(27)18-11-7-6-10-17(18)19(23(25)12-8-5-9-13-23)20(26)24-16(3)22(28)29-4/h6-7,10-11,15-16,19H,5,8-9,12-14H2,1-4H3,(H,24,26)/t16-,19?/m0/s1
InChIKey
JRBXWHGRGVFCGA-UCFFOFKASA-N
Synonyms

(2S)methyl2(2isobutyl1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
91638088
COC(=O)(C@@H)(NC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)CC(C)C)C
InChI=1SC23H32N2O4c115(2)142521(27)1811761017(18)19(23(25)128591323)20(26)2416(3)22(28)294h671011151619H5891214H214H3(H2426)t1619?m0s1
methyl(2~(S))2((2(2methylpropyl)1oxospiro(4~(H)isoquinoline31cyclohexane)4carbonyl)amino)propanoate
methylN((2(2methylpropyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)Lalaninate
ZINC000217844270
ZINC000217844340

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Available files

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