Vitas-M small molecule compound

(3R)-2,2-dimethyl-N-((2S,3R)-3-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL530872
SMILES CCC([C@@H](C(=O)NCCc1ccccc1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)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/c1-5-17(2)21(23(31)28-16-15-18-11-7-6-8-12-18)29-24(32)22-27(3,4)34-26-20-14-10-9-13-19(20)25(33)30(22)26/h6-14,17,21-22,26H,5,15-16H2,1-4H3,(H,28,31)(H,29,32)/t17?,21-,22+,26?/m0/s1
InChIKey
OZIFLWWWHOHAHU-TUOMMBIPSA-N
Synonyms
956991-49-4
(3~(R))22dimethyl~(N)((2~(S))3methyl1oxo1(2phenylethylamino)pentan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S3R)3methyl1oxo1(phenethylamino)pentan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405494
956991494
CCC((C@@H)(C(=O)NCCc1ccccc1)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC27H33N3O3Sc1517(2)21(23(31)28161518117681218)2924(32)2227(34)342620141091319(20)25(33)30(22)26h61417212226H51516H214H3(H2831)(H2932)t17?2122+26?m0s1
ZINC000008791774
ZINC000012888291

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Available files

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