Vitas-M small molecule compound
(2E)-2-cyano-N-(furan-2-ylmethyl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK811484
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCc1ccco1)\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 C30H30N4O3 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O3/c1-2-3-4-8-17-36-27-15-13-23(14-16-27)29-25(22-34(33-29)26-10-6-5-7-11-26)19-24(20-31)30(35)32-21-28-12-9-18-37-28/h5-7,9-16,18-19,22H,2-4,8,17,21H2,1H3,(H,32,35)/b24-19+InChIKey
RHEFKPGUEHVHQT-LYBHJNIJSA-NSynonyms
(2E)2cyanoN(furan2ylmethyl)3(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2CYANON(FURAN2YLMETHYL)3(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CO3)C4=CC=CC=C4
InChI=1SC30H30N4O3c12348173627151323(141627)2925(2234(3329)26106571126)1924(2031)30(35)322128129183728h57916181922H2481721H21H3(H3235)b2419+
MFCD06264870
ZINC000016713661
ZINC16713661
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