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}-beta-alaninate
Catalog ID
STL320452
SMILES CCC(N1C(=O)c2ccccc2C(C21CCCCC2)C(=O)NCCC(=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 C23H32N2O4 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N2O4/c1-4-16(2)25-22(28)18-11-7-6-10-17(18)20(23(25)13-8-5-9-14-23)21(27)24-15-12-19(26)29-3/h6-7,10-11,16,20H,4-5,8-9,12-15H2,1-3H3,(H,24,27)InChIKey
VYUULQKCPSFQPF-UHFFFAOYSA-NSynonyms
1401529-52-91401529529
CCC(C)N1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NCCC(=O)OC
InChI=1SC23H32N2O4c1416(2)2522(28)1811761017(18)20(23(25)138591423)21(27)24151219(26)293h6710111620H45891215H213H3(H2427)
methyl3((2butan2yl1oxospiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methyl3(2(secbutyl)1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
methylN((2(butan2yl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28029502
ZINC000079474364
ZINC000079474378
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