Vitas-M small molecule compound
4-(3-hydroxy-2H-1,4-benzoxazin-6-yl)-4-oxobutanoic acid
Catalog ID
STK929734
SMILES OC(=O)CCC(=O)c1ccc2c(c1)N=C(CO2)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 C12H11NO5 MW 249.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11NO5/c14-9(2-4-12(16)17)7-1-3-10-8(5-7)13-11(15)6-18-10/h1,3,5H,2,4,6H2,(H,13,15)(H,16,17)InChIKey
GGVAABMOHZYRRX-UHFFFAOYSA-NSynonyms
26518-86-526518865
4(3hydroxy2H14benzoxazin6yl)4oxobutanoicacid
4OXO4(3OXO(2H4HBENZO(34E)14OXAZAPERHYDROIN6YL))BUTANOICACID
4OXO4(3OXO34DIHYDRO2HBENZO(B)(14)OXAZIN6YL)BUTANOICACID
4OXO4(3OXO4H14BENZOXAZIN6YL)BUTANOICACID
C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O
InChI=1SC12H11NO5c149(2412(16)17)713108(57)1311(15)61810h135H246H2(H1315)(H1617)
MFCD18176448
ZINC000005865371
ZINC5865371
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