Vitas-M small molecule compound
5-amino-3-[(Z)-1-cyano-2-{2-[(2,4-dichlorobenzyl)oxy]-4-(diethylamino)phenyl}ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK756558
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(cc1OCc1ccc(cc1Cl)Cl)N(CC)CC)/C#N
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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 C26H26Cl2N6O2 MW 525.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26Cl2N6O2/c1-3-33(4-2)21-8-6-17(24(13-21)36-16-18-5-7-20(27)12-23(18)28)11-19(14-29)25-22(15-30)26(31)34(32-25)9-10-35/h5-8,11-13,35H,3-4,9-10,16,31H2,1-2H3/b19-11+InChIKey
BEYJKZLDNPTNDN-YBFXNURJSA-NSynonyms
5AMINO3((Z)1CYANO2(2((24DICHLOROBENZYL)OXY)4(DIETHYLAMINO)PHENYL)ETHENYL)1(2HYDROXYETHYL)1HPYRAZOLE4CARBONITRILE
5AMINO3((Z)1CYANO2(2((24DICHLOROPHENYL)METHOXY)4(DIETHYLAMINO)PHENYL)ETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)OCC3=C(C=C(C=C3)Cl)Cl
InChI=1SC26H26Cl2N6O2c1333(42)218617(24(1321)3616185720(27)1223(18)28)1119(1429)2522(1530)26(31)34(3225)91035h58111335H349101631H212H3b1911+
MFCD01077344
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(cc1OCc1ccc(cc1Cl)Cl)N(CC)CC)C#N
ZINC000013563278
ZINC13563278
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