Vitas-M small molecule compound
2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
Catalog ID
STK224611
SMILES COc1cc2nc(/C=C/c3cc(Br)ccc3OC)oc(=O)c2cc1OC
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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 C19H16BrNO5 MW 418.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrNO5/c1-23-15-6-5-12(20)8-11(15)4-7-18-21-14-10-17(25-3)16(24-2)9-13(14)19(22)26-18/h4-10H,1-3H3/b7-4+InChIKey
NBEWNYURTXJIQP-QPJJXVBHSA-NSynonyms
2((E)2(5BROMO2METHOXYPHENYL)ETHENYL)67DIMETHOXY31BENZOXAZIN4ONE
2((E)2(5bromo2methoxyphenyl)ethenyl)67dimethoxy4H31benzoxazin4one
COC1=C(C=C(C=C1)Br)C=CC2=NC3=CC(=C(C=C3C(=O)O2)OC)OC
COc1cc2nc(C=Cc3cc(Br)ccc3OC)oc(=O)c2cc1OC
InChI=1SC19H16BrNO5c123156512(20)811(15)471821141017(253)16(242)913(14)19(22)2618h410H13H3b74+
MFCD03780627
ZINC000009287828
ZINC09287828
ZINC9287828
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