Vitas-M small molecule compound
methyl (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
STL250419
SMILES COC(=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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-11(2)9-23-10-15(13-7-5-6-8-14(13)18(23)25)17(24)22-20-21-12(3)16(28-20)19(26)27-4/h5-8,10-11H,9H2,1-4H3,(H,21,22,24)InChIKey
SWLQSXTVLDQADI-UHFFFAOYSA-NSynonyms
1401557-89-81401557898
CC1=C(SC(=N1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(C)C)C(=O)OC
COC(=O)c1sc(=NC(=O)c2cn(CC(C)C)c(=O)c3c2cccc3)(nH)c1C
InChI=1SC20H21N3O4Sc111(2)9231015(13756814(13)18(23)25)17(24)22202112(3)16(2820)19(26)274h581011H9H214H3(H212224)
methyl(2E)4methyl2(((2(2methylpropyl)1oxo12dihydroisoquinolin4yl)carbonyl)imino)23dihydro13thiazole5carboxylate
methyl4methyl2((2(2methylpropyl)1oxoisoquinoline4carbonyl)amino)13thiazole5carboxylate
MFCD24852340
ZINC000079501851
ZINC79501851
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