Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-{(2S)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxobutan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL531321
SMILES Cc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
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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 C26H31N3O3S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O3S/c1-15(2)20(22(30)27-14-17-12-10-16(3)11-13-17)28-23(31)21-26(4,5)33-25-19-9-7-6-8-18(19)24(32)29(21)25/h6-13,15,20-21,25H,14H2,1-5H3,(H,27,30)(H,28,31)/t20-,21+,25?/m0/s1InChIKey
HWAZUEAZFBXQQV-SXNCYPNXSA-NSynonyms
956937-87-4(3~(R))22dimethyl~(N)((2~(S))3methyl1((4methylphenyl)methylamino)1oxobutan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)3methyl1((4methylbenzyl)amino)1oxobutan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((S)3methyl1((4methylbenzyl)amino)1oxobutan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406345
956937874
Cc1ccc(cc1)CNC(=O)(C@H)(C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC26H31N3O3Sc115(2)20(22(30)271417121016(3)111317)2823(31)2126(45)332519976818(19)24(32)29(21)25h61315202125H14H215H3(H2730)(H2831)t2021+25?m0s1
ZINC000008876449
ZINC000012889432
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