Vitas-M small molecule compound

(2E)-3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enamide

Catalog ID
STK317555
SMILES CCn1ncc(c1)/C=C/C(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)F

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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 C20H22FN5O MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN5O/c1-4-25-12-17(11-22-25)7-10-19(27)23-20-14(2)24-26(15(20)3)13-16-5-8-18(21)9-6-16/h5-12H,4,13H2,1-3H3,(H,23,27)/b10-7+
InChIKey
AEJWBBOGBORENC-JXMROGBWSA-N
Synonyms
515858-50-1
(2E)3(1ethyl1Hpyrazol4yl)N(1(4fluorobenzyl)35dimethyl1Hpyrazol4yl)prop2enamide
(E)3(1ETHYLPYRAZOL4YL)N(1((4FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)PROP2ENAMIDE
3(1ETHYL1HPYRAZOL4YL)N(1(4FLUOROBENZYL)35DIMETHYL1HPYRAZOL4YL)ACRYLAMIDE
515858501
CCN1C=C(C=N1)C=CC(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C
CCn1ncc(c1)C=CC(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)F
InChI=1SC20H22FN5Oc14251217(112225)71019(27)232014(2)2426(15(20)3)13165818(21)9616h512H413H213H3(H2327)b107+
MFCD02373629
ZINC000002770405
ZINC02770405
ZINC2770405

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.