Vitas-M small molecule compound
(2E)-3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL396264
SMILES O=C(c1c(C)nn(c1C)C)/C=C/c1c(Br)cnn1C
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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 C13H15BrN4O MW 323.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15BrN4O/c1-8-13(9(2)17(3)16-8)12(19)6-5-11-10(14)7-15-18(11)4/h5-7H,1-4H3/b6-5+InChIKey
PLYUKKVBMKMCEU-AATRIKPKSA-NSynonyms
1005570-77-3(2E)3(4BROMO1METHYL1HPYRAZOL5YL)1(135TRIMETHYL1HPYRAZOL4YL)PROP2EN1ONE
(2E)3(4BROMO1METHYLPYRAZOL5YL)1(135TRIMETHYLPYRAZOL4YL)PROP2EN1ONE
(E)3(4bromo2methylpyrazol3yl)1(135trimethylpyrazol4yl)prop2en1one
1005570773
CC1=C(C(=NN1C)C)C(=O)C=CC2=C(C=NN2C)Br
InChI=1SC13H15BrN4Oc1813(9(2)17(3)168)12(19)651110(14)71518(11)4h57H14H3b65+
MFCD04134895
O=C(c1c(C)nn(c1C)C)C=Cc1c(Br)cnn1C
ZINC000006920991
ZINC06920991
ZINC6920991
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