Vitas-M small molecule compound
ethyl (2E)-2-{[(2-cyclopropyl-1-oxo-1,2-dihydroisoquinolin-4-yl)carbonyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL251127
SMILES CCOC(=O)c1s/c(=N/C(=O)c2cn(C3CC3)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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-3-27-19(26)16-11(2)21-20(28-16)22-17(24)15-10-23(12-8-9-12)18(25)14-7-5-4-6-13(14)15/h4-7,10,12H,3,8-9H2,1-2H3,(H,21,22,24)InChIKey
CNDNFIIUNGQZLG-UHFFFAOYSA-NSynonyms
1324065-44-21324065442
CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4CC4)C
CCOC(=O)c1sc(=NC(=O)c2cn(C3CC3)c(=O)c3c2cccc3)(nH)c1C
ethyl(2E)2(((2cyclopropyl1oxo12dihydroisoquinolin4yl)carbonyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2cyclopropyl1oxoisoquinoline4carbonyl)amino)4methyl13thiazole5carboxylate
InChI=1SC20H19N3O4Sc132719(26)1611(2)2120(2816)2217(24)151023(128912)18(25)14754613(14)15h471012H389H212H3(H212224)
MFCD24852569
ZINC000071284761
ZINC71284761
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