Vitas-M small molecule compound
methyl 6-bromo-2-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran-3-carboxylate
Catalog ID
STK888001
SMILES COC(=O)c1c(C)oc2c1cc(OC/C=C/c1ccccc1)c(c2)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 C20H17BrO4 MW 401.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrO4/c1-13-19(20(22)23-2)15-11-18(16(21)12-17(15)25-13)24-10-6-9-14-7-4-3-5-8-14/h3-9,11-12H,10H2,1-2H3/b9-6+InChIKey
GITVSUBXPWBTLK-RMKNXTFCSA-NSynonyms
308295-63-8308295638
CC1=C(C2=CC(=C(C=C2O1)Br)OCC=CC3=CC=CC=C3)C(=O)OC
COC(=O)c1c(C)oc2c1cc(OCC=Cc1ccccc1)c(c2)Br
InChI=1SC20H17BrO4c11319(20(22)232)151118(16(21)1217(15)2513)241069147435814h391112H10H212H3b96+
METHYL5((2E)3PHENYLPROP2ENYLOXY)6BROMO2METHYLBENZO(B)FURAN3CARBOXYLATE
methyl6bromo2methyl5(((2E)3phenylprop2en1yl)oxy)1benzofuran3carboxylate
METHYL6BROMO2METHYL5((E)3PHENYLPROP2ENOXY)1BENZOFURAN3CARBOXYLATE
MFCD02167000
ZINC000001799026
ZINC01799026
ZINC1799026
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