Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-{(2S)-4-methyl-1-[(4-methylbenzyl)amino]-1-oxopentan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL529931
SMILES Cc1ccc(cc1)CNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)CC(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 C27H33N3O3S MW 479.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O3S/c1-16(2)14-21(23(31)28-15-18-12-10-17(3)11-13-18)29-24(32)22-27(4,5)34-26-20-9-7-6-8-19(20)25(33)30(22)26/h6-13,16,21-22,26H,14-15H2,1-5H3,(H,28,31)(H,29,32)/t21-,22+,26?/m0/s1InChIKey
UUJQROBTMIJLHN-SMWUWQHRSA-NSynonyms
956823-66-8(3~(R))22dimethyl~(N)((2~(S))4methyl1((4methylphenyl)methylamino)1oxopentan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)4methyl1((4methylbenzyl)amino)1oxopentan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((S)4methyl1((4methylbenzyl)amino)1oxopentan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405632
956823668
Cc1ccc(cc1)CNC(=O)(C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)CC(C)C
InChI=1SC27H33N3O3Sc116(2)1421(23(31)281518121017(3)111318)2924(32)2227(45)342620976819(20)25(33)30(22)26h61316212226H1415H215H3(H2831)(H2932)t2122+26?m0s1
ZINC000008791824
ZINC000008791825
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