Vitas-M small molecule compound
(2E)-3-(4-bromothiophen-2-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL401605
SMILES Brc1csc(c1)/C=C/C(=O)c1c(C)nn(c1C)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 C13H13BrN2OS MW 325.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrN2OS/c1-8-13(9(2)16(3)15-8)12(17)5-4-11-6-10(14)7-18-11/h4-7H,1-3H3/b5-4+InChIKey
MGXWVRGEXMGSEV-SNAWJCMRSA-NSynonyms
1005629-36-6(2E)3(4bromothiophen2yl)1(135trimethyl1Hpyrazol4yl)prop2en1one
(E)3(4bromothiophen2yl)1(135trimethylpyrazol4yl)prop2en1one
1005629366
Brc1csc(c1)C=CC(=O)c1c(C)nn(c1C)C
CC1=C(C(=NN1C)C)C(=O)C=CC2=CC(=CS2)Br
InChI=1SC13H13BrN2OSc1813(9(2)16(3)158)12(17)5411610(14)71811h47H13H3b54+
MFCD04134911
ZINC000006920994
ZINC06920994
ZINC6920994
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