Vitas-M small molecule compound
4-{(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenyl 4-fluorobenzenesulfonate
Catalog ID
STK376500
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)F)/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 C22H18FN5O5S MW 483.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN5O5S/c1-32-20-11-14(2-7-19(20)33-34(30,31)17-5-3-16(23)4-6-17)10-15(12-24)21-18(13-25)22(26)28(27-21)8-9-29/h2-7,10-11,29H,8-9,26H2,1H3/b15-10+InChIKey
QMGOPEMOOBZCSV-XNTDXEJSSA-NSynonyms
(4((Z)2(5AMINO4CYANO1(2HYDROXYETHYL)PYRAZOL3YL)2CYANOETHENYL)2METHOXYPHENYL)4FLUOROBENZENESULFONATE
4((1Z)2(5AMINO4CYANO1(2HYDROXYETHYL)PYRAZOL3YL)2CYANOVINYL)2METHOXYPHENYL4FLUOROBENZENESULFONATE
4((Z)2(5amino4cyano1(2hydroxyethyl)1Hpyrazol3yl)2cyanoethenyl)2methoxyphenyl4fluorobenzenesulfonate
COC1=C(C=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)OS(=O)(=O)C3=CC=C(C=C3)F
InChI=1SC22H18FN5O5Sc132201114(2719(20)3334(3031)175316(23)4617)1015(1224)2118(1325)22(26)28(2721)8929h27101129H8926H21H3b1510+
MFCD01160918
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)F)C#N
ZINC000013603171
ZINC13603171
Check stock
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Check stock on Vitas-MAvailable files
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