Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
Catalog ID
STK810713
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C(\C(=O)NCC=C)/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 C27H28N4O2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2/c1-4-6-15-33-24-12-13-25(20(3)16-24)26-22(17-21(18-28)27(32)29-14-5-2)19-31(30-26)23-10-8-7-9-11-23/h5,7-13,16-17,19H,2,4,6,14-15H2,1,3H3,(H,29,32)/b21-17-InChIKey
BIEOCBUYXLMAMR-FXBPSFAMSA-NSynonyms
(2Z)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)2cyanoN(prop2en1yl)prop2enamide
(Z)3(3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)2CYANONPROP2ENYLPROP2ENAMIDE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)C3=CC=CC=C3)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NCC=C)C#N)c1ccccc1
InChI=1SC27H28N4O2c146153324121325(20(3)1624)2622(1721(1828)27(32)291452)1931(3026)23108791123h5713161719H2461415H213H3(H2932)b2117
MFCD04507637
ZINC000016701230
ZINC16701230
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