Vitas-M small molecule compound

4-{[(4-amino-2-oxido-1,2,5-oxadiazol-3-yl)carbonyl]amino}-3-phenylbutanoic acid

Catalog ID
STK684612
SMILES O=C(c1c(N)no[n+]1[O-])NCC(c1ccccc1)CC(=O)O

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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 C13H14N4O5 MW 306.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O5/c14-12-11(17(21)22-16-12)13(20)15-7-9(6-10(18)19)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,14,16)(H,15,20)(H,18,19)
InChIKey
RKWIVQIJVHDWRA-UHFFFAOYSA-N
Synonyms

4(((4amino2oxido125oxadiazol3yl)carbonyl)amino)3phenylbutanoicacid
4((4AMINO2HYDROXY(125OXADIAZOL3YL))CARBONYLAMINO)3PHENYLBUTANOICACID
4((4AMINO2OXIDO125OXADIAZOL2IUM3CARBONYL)AMINO)3PHENYLBUTANOICACID
C1=CC=C(C=C1)C(CC(=O)O)CNC(=O)C2=(N+)(ON=C2N)(O)
InChI=1SC13H14N4O5c141211(17(21)221612)13(20)1579(610(18)19)8421358h159H67H2(H21416)(H1520)(H1819)
MFCD05855508
O=C(c1c(N)no(n+)1(O))NCC(c1ccccc1)CC(=O)O
ZINC000004625586
ZINC000004694695

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Available files

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