Vitas-M small molecule compound

(2E)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile

Catalog ID
STK702703
SMILES CCOc1ccc(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 C26H26N4O3 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3/c1-3-33-24-10-9-20(15-19(24)2)25-22(18-30(28-25)23-7-5-4-6-8-23)16-21(17-27)26(31)29-11-13-32-14-12-29/h4-10,15-16,18H,3,11-14H2,1-2H3/b21-16+
InChIKey
XOTXCRLLOVKLON-LTGZKZEYSA-N
Synonyms

(2E)3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(morpholin4ylcarbonyl)prop2enenitrile
(E)3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(morpholine4carbonyl)acrylonitrile
(E)3(3(4ETHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)2(MORPHOLINE4CARBONYL)PROP2ENENITRILE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)C
CCOc1ccc(cc1C)c1nn(cc1C=C(C(=O)N1CCOCC1)C#N)c1ccccc1
InChI=1SC26H26N4O3c13332410920(1519(24)2)2522(1830(2825)237546823)1621(1727)26(31)29111332141229h410151618H31114H212H3b2116+
MFCD02990292
ZINC000001467452
ZINC01467452
ZINC1467452

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Available files

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