Vitas-M small molecule compound
2-methoxyethyl 6-bromo-2-methyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Catalog ID
STK840967
SMILES COCCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])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 C20H18BrNO7 MW 464.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO7/c1-12-19(20(23)27-7-6-26-2)15-9-18(16(21)10-17(15)29-12)28-11-13-4-3-5-14(8-13)22(24)25/h3-5,8-10H,6-7,11H2,1-2H3InChIKey
VVYACLMLCCTOHD-UHFFFAOYSA-NSynonyms
489397-89-92methoxyethyl6bromo2methyl5((3nitrobenzyl)oxy)1benzofuran3carboxylate
2METHOXYETHYL6BROMO2METHYL5((3NITROBENZYL)OXY)BENZOFURAN3CARBOXYLATE
2METHOXYETHYL6BROMO2METHYL5((3NITROPHENYL)METHOXY)1BENZOFURAN3CARBOXYLATE
2METHOXYETHYL6BROMO2METHYL5((3NITROPHENYL)METHOXY)BENZO(B)FURAN3CARBOXYLATE
489397899
CC1=C(C2=CC(=C(C=C2O1)Br)OCC3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)(N+)(=O)(O))c(c2)Br
InChI=1SC20H18BrNO7c11219(20(23)2776262)15918(16(21)1017(15)2912)28111343514(813)22(24)25h35810H6711H212H3
MFCD03212520
ZINC000002234181
ZINC02234181
ZINC2234181
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