Vitas-M small molecule compound
3,4-dimethylphenyl 4-bromo-3-nitrobenzoate
Catalog ID
STK388083
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Br)Oc1ccc(c(c1)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 C15H12BrNO4 MW 350.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrNO4/c1-9-3-5-12(7-10(9)2)21-15(18)11-4-6-13(16)14(8-11)17(19)20/h3-8H,1-2H3InChIKey
XGSJNCMQROCFQH-UHFFFAOYSA-NSynonyms
354796-92-2(34DIMETHYLPHENYL)4BROMO3NITROBENZOATE
34DIMETHYLPHENYL4BROMO3NITROBENZOATE
354796922
CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)(N+)(=O)(O))C
InChI=1SC15H12BrNO4c193512(710(9)2)2115(18)114613(16)14(811)17(19)20h38H12H3
MFCD00411840
O=C(c1ccc(c(c1)(N+)(=O)(O))Br)Oc1ccc(c(c1)C)C
ZINC000001233136
ZINC01233136
ZINC1233136
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