Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
Catalog ID
STK810730
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C(\C(=O)Nc1ccc(cc1)OCC)/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 C32H32N4O3 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O3/c1-4-6-18-39-29-16-17-30(23(3)19-29)31-25(22-36(35-31)27-10-8-7-9-11-27)20-24(21-33)32(37)34-26-12-14-28(15-13-26)38-5-2/h7-17,19-20,22H,4-6,18H2,1-3H3,(H,34,37)/b24-20-InChIKey
QPSWQHDUJFVJRA-GFMRDNFCSA-NSynonyms
(2Z)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)2cyanoN(4ethoxyphenyl)prop2enamide
(Z)3(3(4butoxy2methylphenyl)1phenylpyrazol4yl)2cyanoN(4ethoxyphenyl)prop2enamide
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=C(C=C3)OCC)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)Nc1ccc(cc1)OCC)C#N)c1ccccc1
InChI=1SC32H32N4O3c146183929161730(23(3)1929)3125(2236(3531)27108791127)2024(2133)32(37)3426121428(151326)3852h717192022H4618H213H3(H3437)b2420
MFCD04536323
ZINC000016804881
ZINC16804881
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