Vitas-M small molecule compound
N~2~-{[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]carbonyl}asparagine
Catalog ID
STK684531
SMILES O=C(c1ccc(s1)C#CC(O)(C)C)NC(C(=O)O)CC(=O)N
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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 C14H16N2O5S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O5S/c1-14(2,21)6-5-8-3-4-10(22-8)12(18)16-9(13(19)20)7-11(15)17/h3-4,9,21H,7H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)InChIKey
OEHBSWZJDNRXFR-UHFFFAOYSA-NSynonyms
4AMINO2((5(3HYDROXY3METHYLBUT1YNYL)THIOPHENE2CARBONYL)AMINO)4OXOBUTANOICACID
CC(C)(C#CC1=CC=C(S1)C(=O)NC(CC(=O)N)C(=O)O)O
InChI=1SC14H16N2O5Sc114(221)6583410(228)12(18)169(13(19)20)711(15)17h34921H7H212H3(H21517)(H1618)(H1920)
MFCD05854835
N~2~((5(3hydroxy3methylbut1yn1yl)thiophen2yl)carbonyl)asparagine
N2((5(3HYDROXY3METHYLBUT1YN1YL)THIOPHEN2YL)CARBONYL)ASPARAGINE
ZINC000004694286
ZINC000004694288
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