Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-((2S,3R)-3-methyl-1-oxo-1-((3-phenylpropyl)amino)pentan-2-yl)-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL532554
SMILES CCC([C@@H](C(=O)NCCCc1ccccc1)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 C28H35N3O3S MW 493.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O3S/c1-5-18(2)22(24(32)29-17-11-14-19-12-7-6-8-13-19)30-25(33)23-28(3,4)35-27-21-16-10-9-15-20(21)26(34)31(23)27/h6-10,12-13,15-16,18,22-23,27H,5,11,14,17H2,1-4H3,(H,29,32)(H,30,33)/t18?,22-,23+,27?/m0/s1InChIKey
MQJIDHWFMDIVBJ-CNXOFUGBSA-NSynonyms
956947-33-4(3~(R))22dimethyl~(N)((2~(S))3methyl1oxo1(3phenylpropylamino)pentan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S3R)3methyl1oxo1((3phenylpropyl)amino)pentan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406079
956947334
CCC((C@@H)(C(=O)NCCCc1ccccc1)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC28H35N3O3Sc1518(2)22(24(32)2917111419127681319)3025(33)2328(34)352721161091520(21)26(34)31(23)27h6101213151618222327H5111417H214H3(H2932)(H3033)t18?2223+27?m0s1
ZINC000008876309
ZINC000012889093
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