Vitas-M small molecule compound
(2E)-3-(4-bromophenyl)-1-(3,5-dimethyl-1H-pyrazol-1-yl)prop-2-en-1-one
Catalog ID
STK437673
SMILES Brc1ccc(cc1)/C=C/C(=O)n1nc(cc1C)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 C14H13BrN2O MW 305.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN2O/c1-10-9-11(2)17(16-10)14(18)8-5-12-3-6-13(15)7-4-12/h3-9H,1-2H3/b8-5+InChIKey
HUDIJQQURRDAFG-VMPITWQZSA-NSynonyms
(2E)1(35DIMETHYLPYRAZOLYL)3(4BROMOPHENYL)PROP2EN1ONE
(2E)3(4bromophenyl)1(35dimethyl1Hpyrazol1yl)prop2en1one
(E)3(4BROMOPHENYL)1(35DIMETHYLPYRAZOL1YL)PROP2EN1ONE
Brc1ccc(cc1)C=CC(=O)n1nc(cc1C)C
CC1=CC(=NN1C(=O)C=CC2=CC=C(C=C2)Br)C
InChI=1SC14H13BrN2Oc110911(2)17(1610)14(18)85123613(15)7412h39H12H3b85+
MFCD01353414
ZINC000004893833
ZINC04893833
ZINC4893833
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