Vitas-M small molecule compound
methyl N-{[2'-(butan-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}-L-alaninate
Catalog ID
STL545613
SMILES CCC(N1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N[C@H](C(=O)OC)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/c1-5-15(2)25-21(27)18-12-8-7-11-17(18)19(23(25)13-9-6-10-14-23)20(26)24-16(3)22(28)29-4/h7-8,11-12,15-16,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26)/t15?,16-,19?/m0/s1InChIKey
UPHVXNJYKQZXPR-WUJZJPHMSA-NSynonyms
(2S)methyl2(2(secbutyl)1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
91638153
CCC(N1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N(C@H)(C(=O)OC)C)C
InChI=1SC23H32N2O4c1515(2)2521(27)1812871117(18)19(23(25)1396101423)20(26)2416(3)22(28)294h781112151619H569101314H214H3(H2426)t15?1619?m0s1
methyl(2~(S))2((2butan2yl1oxospiro(4~(H)isoquinoline31cyclohexane)4carbonyl)amino)propanoate
methylN((2(butan2yl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)Lalaninate
ZINC000217854096
ZINC000217854331
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