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-alanyl-L-valine
Catalog ID
STL530867
SMILES O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)N[C@H](C(=O)O)C(C)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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-10(2)14(20(28)29)23-16(25)11(3)22-17(26)15-21(4,5)30-19-13-9-7-6-8-12(13)18(27)24(15)19/h6-11,14-15,19H,1-5H3,(H,22,26)(H,23,25)(H,28,29)/t11-,14-,15+,19?/m0/s1InChIKey
HRWGUCQKYFQTLQ-WRXJKDNKSA-NSynonyms
(2~(S))2(((2~(S))2(((3~(R))22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carbonyl)amino)propanoyl)amino)3methylbutanoicacid
(2S)2((2S)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)propanamido)3methylbutanoicacid
16404470
InChI=1SC21H27N3O5Sc110(2)14(20(28)29)2316(25)11(3)2217(26)1521(45)301913976812(13)18(27)24(15)19h611141519H15H3(H2226)(H2325)(H2829)t111415+19?m0s1
MFCD08002364
N(((3R)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)LalanylLvaline
O=C((C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C)N(C@H)(C(=O)O)C(C)C
ZINC000008995869
ZINC000008995870
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