Vitas-M small molecule compound
methyl N-{[2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl]carbonyl}-D-alaninate
Catalog ID
STL548749
SMILES COC(=O)[C@H](NC(=O)C1c2ccccc2C(=O)N(C21CCCC2)CC(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 C22H30N2O4 MW 386.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4/c1-14(2)13-24-20(26)17-10-6-5-9-16(17)18(22(24)11-7-8-12-22)19(25)23-15(3)21(27)28-4/h5-6,9-10,14-15,18H,7-8,11-13H2,1-4H3,(H,23,25)/t15-,18?/m1/s1InChIKey
XRBJGTBSGCABGI-NNJIEVJOSA-NSynonyms
(2R)methyl2(2isobutyl1oxo24dihydro1Hspiro(cyclopentane13isoquinolin)4ylcarboxamido)propanoate
91636570
COC(=O)(C@H)(NC(=O)C1c2ccccc2C(=O)N(C21CCCC2)CC(C)C)C
InChI=1SC22H30N2O4c114(2)132420(26)171065916(17)18(22(24)11781222)19(25)2315(3)21(27)284h56910141518H781113H214H3(H2325)t1518?m1s1
methyl(2~(R))2((2(2methylpropyl)1oxospiro(4~(H)isoquinoline31cyclopentane)4carbonyl)amino)propanoate
methylN((2(2methylpropyl)1oxo14dihydro2Hspiro(cyclopentane13isoquinolin)4yl)carbonyl)Dalaninate
ZINC000217611022
ZINC000217611116
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