Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-{(2S)-3-methyl-1-[(3-methylbutyl)amino]-1-oxobutan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL533071
SMILES CC(CCNC(=O)[C@H](C(C)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 C23H33N3O3S MW 431.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N3O3S/c1-13(2)11-12-24-19(27)17(14(3)4)25-20(28)18-23(5,6)30-22-16-10-8-7-9-15(16)21(29)26(18)22/h7-10,13-14,17-18,22H,11-12H2,1-6H3,(H,24,27)(H,25,28)/t17-,18+,22?/m0/s1InChIKey
ATSZMXUIKCAZMA-WQFBUZOZSA-NSynonyms
956921-37-2(3~(R))22dimethyl~(N)((2~(S))3methyl1(3methylbutylamino)1oxobutan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)3methyl1((3methylbutyl)amino)1oxobutan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(isopentylamino)3methyl1oxobutan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405580
956921372
CC(CCNC(=O)(C@H)(C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC23H33N3O3Sc113(2)11122419(27)17(14(3)4)2520(28)1823(56)3022161087915(16)21(29)26(18)22h7101314171822H1112H216H3(H2427)(H2528)t1718+22?m0s1
ZINC000008791805
ZINC000012888432
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