Vitas-M small molecule compound
methyl N-{[1'-oxo-2'-(tetrahydrofuran-2-ylmethyl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl]carbonyl}-beta-alaninate
Catalog ID
STL543351
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)CC1CCCO1
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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 C23H30N2O5 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O5/c1-29-19(26)10-13-24-21(27)20-17-8-2-3-9-18(17)22(28)25(15-16-7-6-14-30-16)23(20)11-4-5-12-23/h2-3,8-9,16,20H,4-7,10-15H2,1H3,(H,24,27)InChIKey
HMZJFXHFJMUREE-UHFFFAOYSA-NSynonyms
1630818-54-01630818540
91638462
InChI=1SC23H30N2O5c12919(26)10132421(27)2017823918(17)22(28)25(151676143016)23(20)11451223h23891620H471015H21H3(H2427)
methyl3((1oxo2(oxolan2ylmethyl)spiro(4~(H)isoquinoline31cyclopentane)4carbonyl)amino)propanoate
METHYL3(1OXO2((TETRAHYDROFURAN2YL)METHYL)24DIHYDRO1HSPIRO(CYCLOPENTANE13ISOQUINOLIN)4YLCARBOXAMIDO)PROPANOATE
methylN((1oxo2(tetrahydrofuran2ylmethyl)14dihydro2Hspiro(cyclopentane13isoquinolin)4yl)carbonyl)betaalaninate
ZINC000217899726
ZINC000217899930
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