Vitas-M small molecule compound
5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK189747
SMILES N#Cc1cnn(c1/N=C/N1CCCCCC1)c1ccc(cc1)C
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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 C18H21N5 MW 307.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5/c1-15-6-8-17(9-7-15)23-18(16(12-19)13-21-23)20-14-22-10-4-2-3-5-11-22/h6-9,13-14H,2-5,10-11H2,1H3/b20-14+InChIKey
NRIDBKMYRRMJJH-XSFVSMFZSA-NSynonyms
5(((E)AZEPAN1YLMETHYLIDENE)AMINO)1(4METHYLPHENYL)1HPYRAZOLE4CARBONITRILE
5((1AZEPANYLMETHYLENE)AMINO)1(4METHYLPHENYL)1HPYRAZOLE4CARBONITRILE
5((E)azepan1ylmethylideneamino)1(4methylphenyl)pyrazole4carbonitrile
CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CCCCCC3
InChI=1SC18H21N5c1156817(9715)2318(16(1219)132123)2014221042351122h691314H251011H21H3b2014+
MFCD04218332
N#Cc1cnn(c1N=CN1CCCCCC1)c1ccc(cc1)C
ZINC000101076726
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