Vitas-M small molecule compound
ethyl 6-bromo-2-tert-butyl-5-[(4-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Catalog ID
STK840065
SMILES CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)[N+](=O)[O-])c(c2)Br)C(C)(C)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 C22H22BrNO6 MW 476.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO6/c1-5-28-21(25)19-15-10-18(16(23)11-17(15)30-20(19)22(2,3)4)29-12-13-6-8-14(9-7-13)24(26)27/h6-11H,5,12H2,1-4H3InChIKey
NLOBSTZNQTVIQB-UHFFFAOYSA-NSynonyms
384352-14-1384352141
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=C(C=C3)(N+)(=O)(O))Br)C(C)(C)C
CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)(N+)(=O)(O))c(c2)Br)C(C)(C)C
ETHYL2(TERTBUTYL)6BROMO5((4NITROPHENYL)METHOXY)BENZO(B)FURAN3CARBOXYLATE
ETHYL6BROMO2(TERTBUTYL)5((4NITROBENZYL)OXY)BENZOFURAN3CARBOXYLATE
ethyl6bromo2tertbutyl5((4nitrobenzyl)oxy)1benzofuran3carboxylate
ETHYL6BROMO2TERTBUTYL5((4NITROPHENYL)METHOXY)1BENZOFURAN3CARBOXYLATE
InChI=1SC22H22BrNO6c152821(25)19151018(16(23)1117(15)3020(19)22(23)4)2912136814(9713)24(26)27h611H512H214H3
MFCD03212519
ZINC000002319771
ZINC02319771
ZINC2319771
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