Vitas-M small molecule compound
methyl 1-acetyl-7-(3-bromophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Catalog ID
STK551980
SMILES COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)Br)C(=O)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 C16H14BrN3O5 MW 408.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O5/c1-9(21)20-16(7-12(18-20)14(23)25-2)8-13(22)19(15(16)24)11-5-3-4-10(17)6-11/h3-6H,7-8H2,1-2H3InChIKey
QSBJJQDTUOWXDQ-UHFFFAOYSA-NSynonyms
680206-05-7680206057
CC(=O)N1C2(CC(=N1)C(=O)OC)CC(=O)N(C2=O)C3=CC(=CC=C3)Br
InChI=1SC16H14BrN3O5c19(21)2016(712(1820)14(23)252)813(22)19(15(16)24)1153410(17)611h36H78H212H3
methyl1acetyl7(3bromophenyl)68dioxo127triazaspiro(44)non2ene3carboxylate
METHYL4ACETYL8(3BROMOPHENYL)79DIOXO348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
MFCD03671786
ZINC000005023598
ZINC000005023600
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