Vitas-M small molecule compound
propan-2-yl 6-bromo-2-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran-3-carboxylate
Catalog ID
STK888003
SMILES CC(OC(=O)c1c(C)oc2c1cc(OC/C=C/c1ccccc1)c(c2)Br)C
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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 C22H21BrO4 MW 429.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrO4/c1-14(2)26-22(24)21-15(3)27-19-13-18(23)20(12-17(19)21)25-11-7-10-16-8-5-4-6-9-16/h4-10,12-14H,11H2,1-3H3/b10-7+InChIKey
KVQPQQKXWHUYNN-JXMROGBWSA-NSynonyms
CC(OC(=O)c1c(C)oc2c1cc(OCC=Cc1ccccc1)c(c2)Br)C
CC1=C(C2=CC(=C(C=C2O1)Br)OCC=CC3=CC=CC=C3)C(=O)OC(C)C
InChI=1SC22H21BrO4c114(2)2622(24)2115(3)27191318(23)20(1217(19)21)2511710168546916h4101214H11H213H3b107+
METHYLETHYL5((2E)3PHENYLPROP2ENYLOXY)6BROMO2METHYLBENZO(B)FURAN3CARBOXYLATE
MFCD02167002
propan2yl6bromo2methyl5(((2E)3phenylprop2en1yl)oxy)1benzofuran3carboxylate
PROPAN2YL6BROMO2METHYL5((E)3PHENYLPROP2ENOXY)1BENZOFURAN3CARBOXYLATE
ZINC000001799034
ZINC01799034
ZINC1799034
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