Vitas-M small molecule compound
methyl (2E)-4-methyl-2-({[2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL246522
SMILES COC(=O)c1s/c(=N/C(=O)c2cn(CCC(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/c1-12(2)9-10-24-11-16(14-7-5-6-8-15(14)19(24)26)18(25)23-21-22-13(3)17(29-21)20(27)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,23,25)InChIKey
YXPIRKGXHZKABI-UHFFFAOYSA-NSynonyms
1401543-29-01401543290
CC1=C(SC(=N1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)CCC(C)C)C(=O)OC
COC(=O)c1sc(=NC(=O)c2cn(CCC(C)C)c(=O)c3c2cccc3)(nH)c1C
InChI=1SC21H23N3O4Sc112(2)910241116(14756815(14)19(24)26)18(25)23212213(3)17(2921)20(27)284h581112H910H214H3(H222325)
methyl(2E)4methyl2(((2(3methylbutyl)1oxo12dihydroisoquinolin4yl)carbonyl)imino)23dihydro13thiazole5carboxylate
methyl4methyl2((2(3methylbutyl)1oxoisoquinoline4carbonyl)amino)13thiazole5carboxylate
MFCD24860578
ZINC000079479768
ZINC79479768
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