Vitas-M small molecule compound

(2E)-N-(4-chlorophenyl)-2-cyano-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-enamide

Catalog ID
STK430765
SMILES N#C/C(=C\c1cn(nc1C)CC)/C(=O)Nc1ccc(cc1)Cl

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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 C16H15ClN4O MW 314.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4O/c1-3-21-10-13(11(2)20-21)8-12(9-18)16(22)19-15-6-4-14(17)5-7-15/h4-8,10H,3H2,1-2H3,(H,19,22)/b12-8+
InChIKey
VUMJYPFGADOYQI-XYOKQWHBSA-N
Synonyms

(2E)N(4chlorophenyl)2cyano3(1ethyl3methyl1Hpyrazol4yl)prop2enamide
(2E)N(4CHLOROPHENYL)2CYANO3(1ETHYL3METHYLPYRAZOL4YL)PROP2ENAMIDE
(E)N(4CHLOROPHENYL)2CYANO3(1ETHYL3METHYLPYRAZOL4YL)PROP2ENAMIDE
CCN1C=C(C(=N1)C)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl
InChI=1SC16H15ClN4Oc13211013(11(2)2021)812(918)16(22)19156414(17)5715h4810H3H212H3(H1922)b128+
MFCD03465718
N#CC(=Cc1cn(nc1C)CC)C(=O)Nc1ccc(cc1)Cl
ZINC000017053010
ZINC17053010

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Available files

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