Vitas-M small molecule compound
ethyl (2E)-4-methyl-2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL243669
SMILES CCOC(=O)c1s/c(=N/C(=O)c2cn(CC(C)C)c(=O)c3c2cccc3)/[nH]c1C
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-5-28-20(27)17-13(4)22-21(29-17)23-18(25)16-11-24(10-12(2)3)19(26)15-9-7-6-8-14(15)16/h6-9,11-12H,5,10H2,1-4H3,(H,22,23,25)InChIKey
UPJDEXAOTIUSDX-UHFFFAOYSA-NSynonyms
1324082-46-31324082463
CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(C)C)C
CCOC(=O)c1sc(=NC(=O)c2cn(CC(C)C)c(=O)c3c2cccc3)(nH)c1C
ethyl(2E)4methyl2(((2(2methylpropyl)1oxo12dihydroisoquinolin4yl)carbonyl)imino)23dihydro13thiazole5carboxylate
ethyl4methyl2((2(2methylpropyl)1oxoisoquinoline4carbonyl)amino)13thiazole5carboxylate
InChI=1SC21H23N3O4Sc152820(27)1713(4)2221(2917)2318(25)161124(1012(2)3)19(26)15976814(15)16h691112H510H214H3(H222325)
MFCD24859710
ZINC000071284339
ZINC71284339
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