Vitas-M small molecule compound
(2E)-N-benzyl-3-[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide
Catalog ID
STK810223
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCc1ccccc1)\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 C30H28N4O2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O2/c1-2-3-18-36-28-16-14-24(15-17-28)29-26(22-34(33-29)27-12-8-5-9-13-27)19-25(20-31)30(35)32-21-23-10-6-4-7-11-23/h4-17,19,22H,2-3,18,21H2,1H3,(H,32,35)/b25-19+InChIKey
UWDDSTWCMKPZNZ-NCELDCMTSA-NSynonyms
(2E)Nbenzyl3(3(4butoxyphenyl)1phenyl1Hpyrazol4yl)2cyanoprop2enamide
(E)NBENZYL3(3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)2CYANOPROP2ENAMIDE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NCc1ccccc1)C#N)c1ccccc1
InChI=1SC30H28N4O2c123183628161424(151728)2926(2234(3329)27128591327)1925(2031)30(35)322123106471123h4171922H231821H21H3(H3235)b2519+
MFCD03462501
ZINC000016701007
ZINC16701007
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