Vitas-M small molecule compound
N-{[(3R)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}-L-phenylalanine
Catalog ID
STL529746
SMILES OC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)Cc1ccccc1
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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-22(2)17(24-19(26)14-10-6-7-11-15(14)20(24)29-22)18(25)23-16(21(27)28)12-13-8-4-3-5-9-13/h3-11,16-17,20H,12H2,1-2H3,(H,23,25)(H,27,28)/t16-,17+,20?/m0/s1InChIKey
HQXVTDCBDLRLTQ-QJNHQHDKSA-NSynonyms
957020-87-0(2~(S))2(((3~(R))22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carbonyl)amino)3phenylpropanoicacid
(2R)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)3phenylpropanoicacid
16404405
957020870
InChI=1SC22H22N2O4Sc122(2)17(2419(26)1410671115(14)20(24)2922)18(25)2316(21(27)28)12138435913h311161720H12H212H3(H2325)(H2728)t1617+20?m0s1
MFCD08002359
N(((3R)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)Lphenylalanine
OC(=O)(C@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)Cc1ccccc1
ZINC000004085286
ZINC000004085288
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