Vitas-M small molecule compound

(2E)-N-(4-chlorobenzyl)-2-cyano-3-[3-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enamide

Catalog ID
STK473852
SMILES N#C/C(=C\c1c[nH]nc1c1ccc(cc1)CC)/C(=O)NCc1ccc(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 C22H19ClN4O MW 390.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O/c1-2-15-3-7-17(8-4-15)21-19(14-26-27-21)11-18(12-24)22(28)25-13-16-5-9-20(23)10-6-16/h3-11,14H,2,13H2,1H3,(H,25,28)(H,26,27)/b18-11+
InChIKey
VZWOYNVXXMZINY-WOJGMQOQSA-N
Synonyms

(2E)N((4CHLOROPHENYL)METHYL)2CYANO3(3(4ETHYLPHENYL)PYRAZOL4YL)PROP2ENAMIDE
(2E)N(4chlorobenzyl)2cyano3(3(4ethylphenyl)1Hpyrazol4yl)prop2enamide
(E)N((4chlorophenyl)methyl)2cyano3(5(4ethylphenyl)1Hpyrazol4yl)prop2enamide
CCC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NCC3=CC=C(C=C3)Cl
InChI=1SC22H19ClN4Oc12153717(8415)2119(14262721)1118(1224)22(28)2513165920(23)10616h31114H213H21H3(H2528)(H2627)b1811+
MFCD06140394
N#CC(=Cc1c(nH)nc1c1ccc(cc1)CC)C(=O)NCc1ccc(cc1)Cl
ZINC000017079822
ZINC17079822

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Available files

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