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}-L-valinate
Catalog ID
STL542692
SMILES COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N[C@H](C(=O)OC)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 C24H34N2O5 MW 430.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N2O5/c1-16(2)20(23(29)31-4)25-21(27)19-17-10-6-7-11-18(17)22(28)26(14-15-30-3)24(19)12-8-5-9-13-24/h6-7,10-11,16,19-20H,5,8-9,12-15H2,1-4H3,(H,25,27)/t19?,20-/m0/s1InChIKey
HZSOFYQDNICPII-ANYOKISRSA-NSynonyms
(2S)methyl2(2(2methoxyethyl)1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)3methylbutanoate
91636880
COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N(C@H)(C(=O)OC)C(C)C
InChI=1SC24H34N2O5c116(2)20(23(29)314)2521(27)191710671118(17)22(28)26(1415303)24(19)128591324h671011161920H5891215H214H3(H2527)t19?20m0s1
methyl(2~(S))2((2(2methoxyethyl)1oxospiro(4~(H)isoquinoline31cyclohexane)4carbonyl)amino)3methylbutanoate
methylN((2(2methoxyethyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)Lvalinate
ZINC000217659214
ZINC000217659288
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