Vitas-M small molecule compound
5-amino-3-[(Z)-2-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK673629
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc(I)c(c(c1)OC)OCc1ccc(cc1)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 C23H19ClIN5O3 MW 575.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClIN5O3/c1-32-20-10-15(9-19(25)22(20)33-13-14-2-4-17(24)5-3-14)8-16(11-26)21-18(12-27)23(28)30(29-21)6-7-31/h2-5,8-10,31H,6-7,13,28H2,1H3/b16-8+InChIKey
SCWHZFCZARGZDS-LZYBPNLTSA-NSynonyms
5amino3((Z)2(4((4chlorobenzyl)oxy)3iodo5methoxyphenyl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(4((4CHLOROPHENYL)METHOXY)3IODO5METHOXYPHENYL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
5AMINO3(2(4((4CHLOROBENZYL)OXY)3IODO5METHOXYPHENYL)1CYANOVINYL)1(2HYDROXYETHYL)1HPYRAZOLE4CARBONITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)I)OCC3=CC=C(C=C3)Cl
InChI=1SC23H19ClIN5O3c132201015(919(25)22(20)3313142417(24)5314)816(1126)2118(1227)23(28)30(2921)6731h2581031H671328H21H3b168+
MFCD01030035
OCCn1nc(c(c1N)C#N)C(=Cc1cc(I)c(c(c1)OC)OCc1ccc(cc1)Cl)C#N
ZINC000100060063
ZINC100060063
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