Vitas-M small molecule compound
N'-[(E)-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene]-5-ethoxy-1-benzofuran-2-carbohydrazide
Catalog ID
STK197000
SMILES CCOc1cc(/C=N/NC(=O)c2oc3c(c2)cc(cc3)OCC)cc(c1OCc1ccc(cc1)F)Br
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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 C27H24BrFN2O5 MW 555.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrFN2O5/c1-3-33-21-9-10-23-19(13-21)14-25(36-23)27(32)31-30-15-18-11-22(28)26(24(12-18)34-4-2)35-16-17-5-7-20(29)8-6-17/h5-15H,3-4,16H2,1-2H3,(H,31,32)/b30-15+InChIKey
QROSYCMYGGLXRU-FJEPWZHXSA-NSynonyms
CCOC1=CC2=C(C=C1)OC(=C2)C(=O)NN=CC3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)F)OCC
CCOc1cc(C=NNC(=O)c2oc3c(c2)cc(cc3)OCC)cc(c1OCc1ccc(cc1)F)Br
InChI=1SC27H24BrFN2O5c1333219102319(1321)1425(3623)27(32)313015181122(28)26(24(1218)3442)3516175720(29)8617h515H3416H212H3(H3132)b3015+
MFCD03729569
N((E)(3BROMO5ETHOXY4((4FLUOROBENZYL)OXY)PHENYL)METHYLIDENE)5ETHOXY1BENZOFURAN2CARBOHYDRAZIDE
N((E)(3bromo5ethoxy4((4fluorophenyl)methoxy)phenyl)methylideneamino)5ethoxy1benzofuran2carboxamide
ZINC000097960975
ZINC100378015
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