Vitas-M small molecule compound
4,4'-{[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]methanediyl}bis(3-methyl-1H-pyrazol-5-ol)
Catalog ID
STK279193
SMILES C#CCOc1ccc(cc1C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C)Br
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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 C18H17BrN4O3 MW 417.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN4O3/c1-4-7-26-13-6-5-11(19)8-12(13)16(14-9(2)20-22-17(14)24)15-10(3)21-23-18(15)25/h1,5-6,8,16H,7H2,2-3H3,(H2,20,22,24)(H2,21,23,25)InChIKey
SCLDPKUDOMETDO-UHFFFAOYSA-NSynonyms
4((5BROMO2PROP2YNOXYPHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((5BROMO2(PROP2YN1YLOXY)PHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
C#CCOc1ccc(cc1C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C)Br
CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)Br)OCC#C)C3=C(NNC3=O)C
InChI=1SC18H17BrN4O3c14726136511(19)812(13)16(149(2)202217(14)24)1510(3)212318(15)25h156816H7H223H3(H2202224)(H2212325)
MFCD05823416
ZINC000006300066
ZINC06300066
ZINC6300066
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