Vitas-M small molecule compound
(2E)-1-(4-bromophenyl)-3-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL401678
SMILES Brc1ccc(cc1)C(=O)/C=C/c1cn(nc1C)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/c1-10-12(9-17(2)16-10)5-8-14(18)11-3-6-13(15)7-4-11/h3-9H,1-2H3/b8-5+InChIKey
CTCAPCCAVMXCFF-VMPITWQZSA-NSynonyms
1005708-12-2(2E)1(4bromophenyl)3(13dimethyl1Hpyrazol4yl)prop2en1one
(2E)3(13DIMETHYLPYRAZOL4YL)1(4BROMOPHENYL)PROP2EN1ONE
(E)1(4BROMOPHENYL)3(13DIMETHYLPYRAZOL4YL)PROP2EN1ONE
1005708122
Brc1ccc(cc1)C(=O)C=Cc1cn(nc1C)C
CC1=NN(C=C1C=CC(=O)C2=CC=C(C=C2)Br)C
InChI=1SC14H13BrN2Oc11012(917(2)1610)5814(18)113613(15)7411h39H12H3b85+
MFCD04132612
ZINC000006921414
ZINC06921414
ZINC6921414
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