Vitas-M small molecule compound
2-[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)phenyl]-2,3-dihydro-4H-1,3-benzoxazin-4-one
Catalog ID
STK783182
SMILES C#CCOc1c(I)cc(cc1OCC)C1NC(=O)c2c(O1)cccc2
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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 C19H16INO4 MW 449.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16INO4/c1-3-9-24-17-14(20)10-12(11-16(17)23-4-2)19-21-18(22)13-7-5-6-8-15(13)25-19/h1,5-8,10-11,19H,4,9H2,2H3,(H,21,22)InChIKey
CPVVXWKTZASOIS-UHFFFAOYSA-NSynonyms
2(3ethoxy5iodo4(prop2yn1yloxy)phenyl)23dihydro4H13benzoxazin4one
2(3ETHOXY5IODO4PROP2YNOXYPHENYL)23DIHYDRO13BENZOXAZIN4ONE
2(5ETHOXY3IODO4PROP2YNYLOXYPHENYL)2H3HBENZO(E)13OXAZAPERHYDROIN4ONE
CCOC1=C(C(=CC(=C1)C2NC(=O)C3=CC=CC=C3O2)I)OCC#C
InChI=1SC19H16INO4c139241714(20)1012(1116(17)2342)192118(22)13756815(13)2519h158101119H49H22H3(H2122)
MFCD06617651
ZINC000012411409
ZINC000012411410
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