Vitas-M small molecule compound
ethyl (2Z)-2-({[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL160626
SMILES COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)/N=c/1\scc([nH]1)C(=O)OCC
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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 C23H27N3O5S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5S/c1-3-31-21(29)17-14-32-22(24-17)25-19(27)18-15-8-4-5-9-16(15)20(28)26(12-13-30-2)23(18)10-6-7-11-23/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3,(H,24,25,27)InChIKey
AMXNXWFTDGCQEF-UHFFFAOYSA-NSynonyms
1310946-89-41310946894
CCOC(=O)C1=CSC(=N1)NC(=O)C2C3=CC=CC=C3C(=O)N(C24CCCC4)CCOC
COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)N=c1scc((nH)1)C(=O)OCC
ethyl(2Z)2(((2(2methoxyethyl)1oxo14dihydro2Hspiro(cyclopentane13isoquinolin)4yl)carbonyl)imino)23dihydro13thiazole4carboxylate
ethyl2((2(2methoxyethyl)1oxospiro(4Hisoquinoline31cyclopentane)4carbonyl)amino)13thiazole4carboxylate
InChI=1SC23H27N3O5Sc133121(29)17143222(2417)2519(27)1815845916(15)20(28)26(1213302)23(18)10671123h45891418H3671013H212H3(H242527)
MFCD20759093
ZINC000071282852
ZINC000071282853
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