Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Catalog ID
STK514869
SMILES CCCCOc1ccc(cc1F)c1nn(cc1/C=C(\C(=O)N1CCOCC1)/C#N)c1ccccc1
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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 C27H27FN4O3 MW 474.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O3/c1-2-3-13-35-25-10-9-20(17-24(25)28)26-22(19-32(30-26)23-7-5-4-6-8-23)16-21(18-29)27(33)31-11-14-34-15-12-31/h4-10,16-17,19H,2-3,11-15H2,1H3/b21-16-InChIKey
AJYXRSFAJOKWKT-PGMHBOJBSA-NSynonyms
(2Z)3(3(4butoxy3fluorophenyl)1phenyl1Hpyrazol4yl)2(morpholin4ylcarbonyl)prop2enenitrile
(Z)3(3(4butoxy3fluorophenyl)1phenylpyrazol4yl)2(morpholine4carbonyl)prop2enenitrile
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)F
CCCCOc1ccc(cc1F)c1nn(cc1C=C(C(=O)N1CCOCC1)C#N)c1ccccc1
InChI=1SC27H27FN4O3c12313352510920(1724(25)28)2622(1932(3026)237546823)1621(1829)27(33)31111434151231h410161719H231115H21H3b2116
MFCD03506649
ZINC000015230896
ZINC15230896
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