Vitas-M small molecule compound
(2E)-2-cyano-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK799019
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 C30H34N4O3 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O3/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/h5-7,10-11,13-16,19,22,28H,2-4,8-9,12,17-18,21H2,1H3,(H,32,35)/b24-19+InChIKey
IEZKWPJIXXCADC-LYBHJNIJSA-NSynonyms
(2E)2cyano3(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(E)2CYANO3(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)N(OXOLAN2YLMETHYL)PROP2ENAMIDE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4
CCCCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NCC1CCCO1)C#N)c1ccccc1
InChI=1SC30H34N4O3c12348173627151323(141627)2925(2234(3329)26106571126)1924(2031)30(35)322128129183728h5710111316192228H248912171821H21H3(H3235)b2419+
MFCD03462207
ZINC000012621439
ZINC000012621442
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