Vitas-M small molecule compound

4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzonitrile

Catalog ID
STK013446
SMILES N#Cc1ccc(cc1)C(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 C16H15N5O2 MW 309.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2/c1-8-12(15(22)20-18-8)14(13-9(2)19-21-16(13)23)11-5-3-10(7-17)4-6-11/h3-6,14H,1-2H3,(H2,18,20,22)(H2,19,21,23)
InChIKey
JKBUKNMZEJJTIQ-UHFFFAOYSA-N
Synonyms
505088-82-4
4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)BENZONITRILE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)BENZONITRILE
4(BIS(5HYDROXY3METHYLPYRAZOL4YL)METHYL)BENZENECARBONITRILE
505088824
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C#N)C3=C(NNC3=O)C
InChI=1SC16H15N5O2c1812(15(22)20188)14(139(2)192116(13)23)115310(717)4611h3614H12H3(H2182022)(H2192123)
MFCD03044107
N#Cc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
STK013446
ZINC000019907735
ZINC19907735

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Available files

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