Vitas-M small molecule compound
3-[(Z)-1-cyano-2-(2,5-dimethoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-5-{[(E)-(4-methylphenyl)methylidene]amino}-1H-pyrazole-4-carbonitrile
Catalog ID
STK675964
SMILES OCCn1nc(c(c1/N=C/c1ccc(cc1)C)C#N)/C(=C/c1cc(OC)ccc1OC)/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 C25H23N5O3 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3/c1-17-4-6-18(7-5-17)16-28-25-22(15-27)24(29-30(25)10-11-31)20(14-26)12-19-13-21(32-2)8-9-23(19)33-3/h4-9,12-13,16,31H,10-11H2,1-3H3/b20-12+,28-16+InChIKey
GBESXFQKGKRNLR-WPQZPIHKSA-NSynonyms
3((Z)1cyano2(25dimethoxyphenyl)ethenyl)1(2hydroxyethyl)5(((E)(4methylphenyl)methylidene)amino)1Hpyrazole4carbonitrile
3((Z)1cyano2(25dimethoxyphenyl)ethenyl)1(2hydroxyethyl)5((E)(4methylphenyl)methylideneamino)pyrazole4carbonitrile
3(1CYANO2(25DIMETHOXYPHENYL)VINYL)1(2HYDROXYETHYL)5((4METHYLBENZYLIDENE)AMINO)1HPYRAZOLE4CARBONITRILE
CC1=CC=C(C=C1)C=NC2=C(C(=NN2CCO)C(=CC3=C(C=CC(=C3)OC)OC)C#N)C#N
InChI=1SC25H23N5O3c1174618(7517)16282522(1527)24(2930(25)101131)20(1426)12191321(322)8923(19)333h4912131631H1011H213H3b2012+2816+
MFCD01926146
OCCn1nc(c(c1N=Cc1ccc(cc1)C)C#N)C(=Cc1cc(OC)ccc1OC)C#N
ZINC000008426292
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