Vitas-M small molecule compound
methyl (2Z)-2-{[(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)carbonyl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL247796
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2cn(C)c(=O)c3c2cccc3)/sc1CC(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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-11(2)9-15-16(19(26)27-4)21-20(28-15)22-17(24)14-10-23(3)18(25)13-8-6-5-7-12(13)14/h5-8,10-11H,9H2,1-4H3,(H,21,22,24)InChIKey
HOSQEOZWWRFIOV-UHFFFAOYSA-NSynonyms
1351687-70-11351687701
CC(C)CC1=C(N=C(S1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2cn(C)c(=O)c3c2cccc3)sc1CC(C)C
InChI=1SC20H21N3O4Sc111(2)91516(19(26)274)2120(2815)2217(24)141023(3)18(25)13865712(13)14h581011H9H214H3(H212224)
methyl(2Z)2(((2methyl1oxo12dihydroisoquinolin4yl)carbonyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2((2methyl1oxoisoquinoline4carbonyl)amino)5(2methylpropyl)13thiazole4carboxylate
MFCD24860997
ZINC000072400763
ZINC72400763
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