Vitas-M small molecule compound

(2E)-2-cyano-3-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-N-(pyridin-3-ylmethyl)prop-2-enamide

Catalog ID
STK823073
SMILES C=CCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCc1cccnc1)\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 C28H23N5O2 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O2/c1-2-15-35-26-12-10-22(11-13-26)27-24(20-33(32-27)25-8-4-3-5-9-25)16-23(17-29)28(34)31-19-21-7-6-14-30-18-21/h2-14,16,18,20H,1,15,19H2,(H,31,34)/b23-16+
InChIKey
HLSOSSAPMKMDIG-XQNSMLJCSA-N
Synonyms

(2E)2cyano3(1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)N(pyridin3ylmethyl)prop2enamide
(E)2cyano3(1phenyl3(4prop2enoxyphenyl)pyrazol4yl)N(pyridin3ylmethyl)prop2enamide
C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4
C=CCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NCc1cccnc1)C#N)c1ccccc1
InChI=1SC28H23N5O2c12153526121022(111326)2724(2033(3227)258435925)1623(1729)28(34)3119217614301821h214161820H11519H2(H3134)b2316+
MFCD03463635
ZINC000027018424
ZINC27018424

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Available files

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