Vitas-M small molecule compound
(2E)-3-[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Catalog ID
STK702693
SMILES CCCCOc1ccc(cc1C)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 C28H30N4O3 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3/c1-3-4-14-35-26-11-10-22(17-21(26)2)27-24(20-32(30-27)25-8-6-5-7-9-25)18-23(19-29)28(33)31-12-15-34-16-13-31/h5-11,17-18,20H,3-4,12-16H2,1-2H3/b23-18+InChIKey
CNSYPQRMHYFCPI-PTGBLXJZSA-NSynonyms
(2E)3(3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(morpholin4ylcarbonyl)prop2enenitrile
(E)3(3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(morpholine4carbonyl)acrylonitrile
(E)3(3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)2(MORPHOLINE4CARBONYL)PROP2ENENITRILE
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C(C(=O)N1CCOCC1)C#N)c1ccccc1
InChI=1SC28H30N4O3c134143526111022(1721(26)2)2724(2032(3027)258657925)1823(1929)28(33)31121534161331h511171820H341216H212H3b2318+
MFCD02990909
ZINC000001770246
ZINC01770246
ZINC1770246
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