Vitas-M small molecule compound
5-amino-3-[(Z)-2-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK674458
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(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 C23H18BrCl2N5O3 MW 563.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrCl2N5O3/c1-33-20-8-13(6-15(10-27)21-17(11-28)23(29)31(30-21)4-5-32)7-18(24)22(20)34-12-14-2-3-16(25)9-19(14)26/h2-3,6-9,32H,4-5,12,29H2,1H3/b15-6+InChIKey
HKAFRWWMXCFRHU-GIDUJCDVSA-NSynonyms
5amino3((Z)2(3bromo4((24dichlorobenzyl)oxy)5methoxyphenyl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(3BROMO4((24DICHLOROPHENYL)METHOXY)5METHOXYPHENYL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)Br)OCC3=C(C=C(C=C3)Cl)Cl
InChI=1SC23H18BrCl2N5O3c13320813(615(1027)2117(1128)23(29)31(3021)4532)718(24)22(20)3412142316(25)919(14)26h236932H451229H21H3b156+
MFCD01029823
OCCn1nc(c(c1N)C#N)C(=Cc1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)C#N
ZINC000100067875
ZINC100067875
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