Vitas-M small molecule compound
3-[(2,6-dibromo-4-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Catalog ID
STL404127
SMILES Cn1cc(c(n1)C(=O)Nc1c(Br)cc(cc1Br)[N+](=O)[O-])C(=O)O
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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 C12H8Br2N4O5 MW 448.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8Br2N4O5/c1-17-4-6(12(20)21)9(16-17)11(19)15-10-7(13)2-5(18(22)23)3-8(10)14/h2-4H,1H3,(H,15,19)(H,20,21)InChIKey
YLTWXUGBSWPGTR-UHFFFAOYSA-NSynonyms
1174830-32-01174830320
3((26dibromo4nitrophenyl)carbamoyl)1methyl1Hpyrazole4carboxylicacid
3((26dibromo4nitrophenyl)carbamoyl)1methylpyrazole4carboxylicacid
CN1C=C(C(=N1)C(=O)NC2=C(C=C(C=C2Br)(N+)(=O)(O))Br)C(=O)O
Cn1cc(c(n1)C(=O)Nc1c(Br)cc(cc1Br)(N+)(=O)(O))C(=O)O
InChI=1SC12H8Br2N4O5c11746(12(20)21)9(1617)11(19)15107(13)25(18(22)23)38(10)14h24H1H3(H1519)(H2021)
MFCD09470323
ZINC000020614530
ZINC20614530
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