Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Catalog ID
STK810715
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C(\C(=O)NCCCOC)/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 C28H32N4O3 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3/c1-4-5-16-35-25-12-13-26(21(2)17-25)27-23(20-32(31-27)24-10-7-6-8-11-24)18-22(19-29)28(33)30-14-9-15-34-3/h6-8,10-13,17-18,20H,4-5,9,14-16H2,1-3H3,(H,30,33)/b22-18-InChIKey
XMFWCUMCIHAYJX-PYCFMQQDSA-NSynonyms
(2Z)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)2cyanoN(3methoxypropyl)prop2enamide
(Z)3(3(4butoxy2methylphenyl)1phenylpyrazol4yl)2cyanoN(3methoxypropyl)prop2enamide
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NCCCOC)C#N)c1ccccc1
InChI=1SC28H32N4O3c145163525121326(21(2)1725)2723(2032(3127)24107681124)1822(1929)28(33)3014915343h681013171820H4591416H213H3(H3033)b2218
MFCD04535737
ZINC000016701233
ZINC16701233
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