Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-((2S,3R)-3-methyl-1-oxo-1-((1-phenylethyl)amino)pentan-2-yl)-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL533167
SMILES CCC([C@@H](C(=O)NC(c1ccccc1)C)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/c1-6-16(2)21(23(31)28-17(3)18-12-8-7-9-13-18)29-24(32)22-27(4,5)34-26-20-15-11-10-14-19(20)25(33)30(22)26/h7-17,21-22,26H,6H2,1-5H3,(H,28,31)(H,29,32)/t16?,17?,21-,22+,26?/m0/s1InChIKey
NGOOMVFRDKJENK-BJNAKQPCSA-NSynonyms
(3~(R))22dimethyl~(N)((2~(S))3methyl1oxo1(1phenylethylamino)pentan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S3R)3methyl1oxo1((1phenylethyl)amino)pentan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405570
CCC((C@@H)(C(=O)NC(c1ccccc1)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC27H33N3O3Sc1616(2)21(23(31)2817(3)18128791318)2924(32)2227(45)3426201511101419(20)25(33)30(22)26h717212226H6H215H3(H2831)(H2932)t16?17?2122+26?m0s1
ZINC000012888392
ZINC000072332936
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