Vitas-M small molecule compound
5-amino-3-{(Z)-2-[2-(benzyloxy)-3,5-dichlorophenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK758307
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Cl)cc(c1OCc1ccccc1)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 C22H17Cl2N5O2 MW 454.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2N5O2/c23-17-9-15(21(19(24)10-17)31-13-14-4-2-1-3-5-14)8-16(11-25)20-18(12-26)22(27)29(28-20)6-7-30/h1-5,8-10,30H,6-7,13,27H2/b16-8+InChIKey
FEDISYDPCFXLTN-LZYBPNLTSA-NSynonyms
5AMINO3((Z)1CYANO2(35DICHLORO2PHENYLMETHOXYPHENYL)ETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
5amino3((Z)2(2(benzyloxy)35dichlorophenyl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
C1=CC=C(C=C1)COC2=C(C=C(C=C2C=C(C#N)C3=NN(C(=C3C#N)N)CCO)Cl)Cl
InChI=1SC22H17Cl2N5O2c2317915(21(19(24)1017)3113144213514)816(1125)2018(1226)22(27)29(2820)6730h1581030H671327H2b168+
MFCD01160928
OCCn1nc(c(c1N)C#N)C(=Cc1cc(Cl)cc(c1OCc1ccccc1)Cl)C#N
ZINC000012376524
ZINC12376524
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