Vitas-M small molecule compound
{2-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenoxy}acetonitrile
Catalog ID
STK279189
SMILES N#CCOc1ccccc1C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C
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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 C17H17N5O3 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3/c1-9-13(16(23)21-19-9)15(14-10(2)20-22-17(14)24)11-5-3-4-6-12(11)25-8-7-18/h3-6,15H,8H2,1-2H3,(H2,19,21,23)(H2,20,22,24)InChIKey
YFJMPFMHGAZETC-UHFFFAOYSA-NSynonyms
(2(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENOXY)ACETONITRILE
2(2(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENOXY)ACETONITRILE
CC1=C(C(=O)NN1)C(C2=CC=CC=C2OCC#N)C3=C(NNC3=O)C
InChI=1SC17H17N5O3c1913(16(23)21199)15(1410(2)202217(14)24)11534612(11)258718h3615H8H212H3(H2192123)(H2202224)
MFCD05823407
N#CCOc1ccccc1C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
ZINC000004454001
ZINC04454001
ZINC4454001
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