Vitas-M small molecule compound
(3R)-N-{(2S)-1-[(4-chlorobenzyl)amino]-3-methyl-1-oxobutan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STK595429
SMILES Clc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
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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 C25H28ClN3O3S MW 486.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O3S/c1-14(2)19(21(30)27-13-15-9-11-16(26)12-10-15)28-22(31)20-25(3,4)33-24-18-8-6-5-7-17(18)23(32)29(20)24/h5-12,14,19-20,24H,13H2,1-4H3,(H,27,30)(H,28,31)/t19-,20+,24?/m0/s1InChIKey
ZSTBMEDZPPNSAI-ZPVKFHTISA-NSynonyms
1014043-34-5(3R)N((2S)1((4chlorobenzyl)amino)3methyl1oxobutan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1((4chlorophenyl)methylamino)3methyl1oxobutan2yl)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((4chlorobenzyl)amino)3methyl1oxobutan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014043345
CC(C)C(C(=O)NCC1=CC=C(C=C1)Cl)NC(=O)C2C(SC3N2C(=O)C4=CC=CC=C34)(C)C
Clc1ccc(cc1)CNC(=O)(C@H)(C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC25H28ClN3O3Sc114(2)19(21(30)27131591116(26)121015)2822(31)2025(34)332418865717(18)23(32)29(20)24h51214192024H13H214H3(H2730)(H2831)t1920+24?m0s1
ZINC000013576640
ZINC000013576642
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.