Vitas-M small molecule compound
methyl N-{[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}alaninate
Catalog ID
STL352018
SMILES COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)NC(C(=O)OC)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 C22H30N2O5 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O5/c1-15(21(27)29-3)23-19(25)18-16-9-5-6-10-17(16)20(26)24(13-14-28-2)22(18)11-7-4-8-12-22/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3,(H,23,25)InChIKey
OCDWOEGJEMRUPL-UHFFFAOYSA-NSynonyms
(2R)methyl2(2(2methoxyethyl)1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
CC(C(=O)OC)NC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)CCOC
COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N(C@@H)(C(=O)OC)C
InChI=1SC22H30N2O5c115(21(27)293)2319(25)18169561017(16)20(26)24(1314282)22(18)117481222h569101518H4781114H213H3(H2325)
methyl2((2(2methoxyethyl)1oxospiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methylN((2(2methoxyethyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)alaninate
MFCD28032472
ZINC000020745850
ZINC000095471352
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