Vitas-M small molecule compound
5-amino-3-[(Z)-2-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK374561
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)ccc1OCc1ccc(cc1Cl)Cl)/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 C22H16BrCl2N5O2 MW 533.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrCl2N5O2/c23-16-2-4-20(32-12-13-1-3-17(24)9-19(13)25)14(8-16)7-15(10-26)21-18(11-27)22(28)30(29-21)5-6-31/h1-4,7-9,31H,5-6,12,28H2/b15-7+InChIKey
MXYRLOJMLAOELD-VIZOYTHASA-NSynonyms
5amino3((Z)2(5bromo2((24dichlorobenzyl)oxy)phenyl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(5BROMO2((24DICHLOROPHENYL)METHOXY)PHENYL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
5AMINO3(2(5BROMO2((24DICHLOROBENZYL)OXY)PHENYL)1CYANOVINYL)1(2HYDROXYETHYL)1HPYRAZOLE4CARBONITRILE
C1=CC(=C(C=C1Cl)Cl)COC2=C(C=C(C=C2)Br)C=C(C#N)C3=NN(C(=C3C#N)N)CCO
InChI=1SC22H16BrCl2N5O2c23162420(3212131317(24)919(13)25)14(816)715(1026)2118(1127)22(28)30(2921)5631h147931H561228H2b157+
MFCD01029508
OCCn1nc(c(c1N)C#N)C(=Cc1cc(Br)ccc1OCc1ccc(cc1Cl)Cl)C#N
ZINC000004118861
ZINC04118861
ZINC4118861
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