Vitas-M small molecule compound
(2E)-2-cyano-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide
Catalog ID
STK799165
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCCCOC)\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 C29H34N4O3 MW 486.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O3/c1-3-4-5-9-19-36-27-15-13-23(14-16-27)28-25(22-33(32-28)26-11-7-6-8-12-26)20-24(21-30)29(34)31-17-10-18-35-2/h6-8,11-16,20,22H,3-5,9-10,17-19H2,1-2H3,(H,31,34)/b24-20+InChIKey
ZOBWEIFOECONPB-HIXSDJFHSA-NSynonyms
(2E)2cyano3(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)N(3methoxypropyl)prop2enamide
(E)2CYANO3(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)N(3METHOXYPROPYL)PROP2ENAMIDE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3
CCCCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NCCCOC)C#N)c1ccccc1
InChI=1SC29H34N4O3c13459193627151323(141627)2825(2233(3228)26117681226)2024(2130)29(34)31171018352h6811162022H359101719H212H3(H3134)b2420+
MFCD03462311
ZINC000012621494
ZINC12621494
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