Vitas-M small molecule compound
5-amino-3-[(Z)-1-cyano-2-{3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK674399
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)c(c(c1)Br)OCc1ccc(cc1)C)/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 C23H19Br2N5O2 MW 557.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Br2N5O2/c1-14-2-4-15(5-3-14)13-32-22-19(24)9-16(10-20(22)25)8-17(11-26)21-18(12-27)23(28)30(29-21)6-7-31/h2-5,8-10,31H,6-7,13,28H2,1H3/b17-8+InChIKey
DYXWYNMHWLMEDK-CAOOACKPSA-NSynonyms
5amino3((Z)1cyano2(35dibromo4((4methylbenzyl)oxy)phenyl)ethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)1CYANO2(35DIBROMO4((4METHYLPHENYL)METHOXY)PHENYL)ETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
5AMINO3(1CYANO2(35DIBROMO4((4METHYLBENZYL)OXY)PHENYL)VINYL)1(2HYDROXYETHYL)1HPYRAZOLE4CARBONITRILE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)Br
InChI=1SC23H19Br2N5O2c1142415(5314)13322219(24)916(1020(22)25)817(1126)2118(1227)23(28)30(2921)6731h2581031H671328H21H3b178+
MFCD01160675
OCCn1nc(c(c1N)C#N)C(=Cc1cc(Br)c(c(c1)Br)OCc1ccc(cc1)C)C#N
ZINC000008443382
ZINC08443382
ZINC8443382
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