Vitas-M small molecule compound
5-amino-3-[(Z)-2-(2-bromo-4,5-dimethoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK756385
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc(OC)c(cc1Br)OC)/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 C17H16BrN5O3 MW 418.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN5O3/c1-25-14-6-10(13(18)7-15(14)26-2)5-11(8-19)16-12(9-20)17(21)23(22-16)3-4-24/h5-7,24H,3-4,21H2,1-2H3/b11-5+InChIKey
MIPAAALTEODOFU-VZUCSPMQSA-NSynonyms
5amino3((Z)2(2bromo45dimethoxyphenyl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(2BROMO45DIMETHOXYPHENYL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
COC1=C(C=C(C(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)Br)OC
InChI=1SC17H16BrN5O3c12514610(13(18)715(14)262)511(819)1612(920)17(21)23(2216)3424h5724H3421H212H3b115+
MFCD01036086
OCCn1nc(c(c1N)C#N)C(=Cc1cc(OC)c(cc1Br)OC)C#N
ZINC000012418137
ZINC12418137
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