Vitas-M small molecule compound

(2E)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-enamide

Catalog ID
STK431779
SMILES N#C/C(=C\c1c(C)nn(c1C)C)/C(=O)Nc1cc(Cl)ccc1OC

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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 C17H17ClN4O2 MW 344.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O2/c1-10-14(11(2)22(3)21-10)7-12(9-19)17(23)20-15-8-13(18)5-6-16(15)24-4/h5-8H,1-4H3,(H,20,23)/b12-7+
InChIKey
OYCWRCVUUUTKFE-KPKJPENVSA-N
Synonyms

(2E)N(5chloro2methoxyphenyl)2cyano3(135trimethyl1Hpyrazol4yl)prop2enamide
(2E)N(5CHLORO2METHOXYPHENYL)2CYANO3(135TRIMETHYLPYRAZOL4YL)PROP2ENAMIDE
(E)N(5CHLORO2METHOXYPHENYL)2CYANO3(135TRIMETHYLPYRAZOL4YL)PROP2ENAMIDE
CC1=C(C(=NN1C)C)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)OC
InChI=1SC17H17ClN4O2c11014(11(2)22(3)2110)712(919)17(23)2015813(18)5616(15)244h58H14H3(H2023)b127+
MFCD03466518
N#CC(=Cc1c(C)nn(c1C)C)C(=O)Nc1cc(Cl)ccc1OC
N(5CHLORO2METHOXYPHENYL)2CYANO3(135TRIMETHYL1HPYRAZOL4YL)ACRYLAMIDE
ZINC000000373891
ZINC00373891
ZINC373891

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Available files

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