Vitas-M small molecule compound

(3R)-2,2-dimethyl-N-[(2S)-4-methyl-1-oxo-1-{[3-(propan-2-yloxy)propyl]amino}pentan-2-yl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL530251
SMILES CC(OCCCNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)CC(C)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 C25H37N3O4S MW 475.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O4S/c1-15(2)14-19(21(29)26-12-9-13-32-16(3)4)27-22(30)20-25(5,6)33-24-18-11-8-7-10-17(18)23(31)28(20)24/h7-8,10-11,15-16,19-20,24H,9,12-14H2,1-6H3,(H,26,29)(H,27,30)/t19-,20+,24?/m0/s1
InChIKey
QWIJMNQOWODVLQ-ZPVKFHTISA-N
Synonyms
956991-52-9
(3~(R))22dimethyl~(N)((2~(S))4methyl1oxo1(3propan2yloxypropylamino)pentan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)4methyl1oxo1((3(propan2yloxy)propyl)amino)pentan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((3isopropoxypropyl)amino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405516
956991529
CC(OCCCNC(=O)(C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)CC(C)C)C
InChI=1SC25H37N3O4Sc115(2)1419(21(29)26129133216(3)4)2722(30)2025(56)33241811871017(18)23(31)28(20)24h7810111516192024H91214H216H3(H2629)(H2730)t1920+24?m0s1
ZINC000012888308
ZINC000012888314

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.