Vitas-M small molecule compound
propan-2-yl 6-bromo-2-methyl-5-{[(3-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Catalog ID
STK888034
SMILES CC(OC(=O)c1c(C)oc2c1cc(OC(=O)c1cccc(c1)[N+](=O)[O-])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 C20H16BrNO7 MW 462.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO7/c1-10(2)27-20(24)18-11(3)28-16-9-15(21)17(8-14(16)18)29-19(23)12-5-4-6-13(7-12)22(25)26/h4-10H,1-3H3InChIKey
ALCQYUOZTMTOAF-UHFFFAOYSA-NSynonyms
6BROMO2METHYL3((METHYLETHYL)OXYCARBONYL)BENZO(B)FURAN5YL3NITROBENZOATE
CC(OC(=O)c1c(C)oc2c1cc(OC(=O)c1cccc(c1)(N+)(=O)(O))c(c2)Br)C
CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC(C)C
InChI=1SC20H16BrNO7c110(2)2720(24)1811(3)2816915(21)17(814(16)18)2919(23)1254613(712)22(25)26h410H13H3
MFCD02167035
propan2yl6bromo2methyl5(((3nitrophenyl)carbonyl)oxy)1benzofuran3carboxylate
PROPAN2YL6BROMO2METHYL5((3NITROBENZOYL)OXY)1BENZOFURAN3CARBOXYLATE
PROPAN2YL6BROMO2METHYL5(3NITROBENZOYL)OXY1BENZOFURAN3CARBOXYLATE
ZINC000001463421
ZINC01463421
ZINC1463421
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