Vitas-M small molecule compound
(2E)-2-cyano-N-(3-methoxypropyl)-3-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK702976
SMILES COCCCNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)/C#N
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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 C28H32N4O3 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3/c1-21(2)14-17-35-26-12-10-22(11-13-26)27-24(20-32(31-27)25-8-5-4-6-9-25)18-23(19-29)28(33)30-15-7-16-34-3/h4-6,8-13,18,20-21H,7,14-17H2,1-3H3,(H,30,33)/b23-18+InChIKey
CCXWBPOHPXFIAG-PTGBLXJZSA-NSynonyms
(2E)2cyanoN(3methoxypropyl)3(3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2cyano3(3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)N(3methoxypropyl)acrylamide
(E)2CYANON(3METHOXYPROPYL)3(3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3
COCCCNC(=O)C(=Cc1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)C#N
InChI=1SC28H32N4O3c121(2)14173526121022(111326)2724(2032(3127)258546925)1823(1929)28(33)3015716343h46813182021H71417H213H3(H3033)b2318+
MFCD02984975
ZINC000009065503
ZINC09065503
ZINC9065503
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