Vitas-M small molecule compound
(2E)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Catalog ID
STK881171
SMILES CCCCSc1ccc(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 C27H30N4O2S MW 474.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O2S/c1-3-4-17-34-25-13-11-21(12-14-25)26-23(20-31(30-26)24-9-6-5-7-10-24)18-22(19-28)27(32)29-15-8-16-33-2/h5-7,9-14,18,20H,3-4,8,15-17H2,1-2H3,(H,29,32)/b22-18+InChIKey
YBFGGPPYPIQTAL-RELWKKBWSA-NSynonyms
(2E)3(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(3methoxypropyl)prop2enamide
(E)3(3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)2CYANON(3METHOXYPROPYL)PROP2ENAMIDE
(Z)3(3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(3methoxypropyl)acrylamide
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3
CCCCSc1ccc(cc1)c1nn(cc1C=C(C(=O)NCCCOC)C#N)c1ccccc1
InChI=1SC27H30N4O2Sc134173425131121(121425)2623(2031(3026)2496571024)1822(1928)27(32)2915816332h579141820H3481517H212H3(H2932)b2218+
MFCD18075883
ZINC000026779594
ZINC26779594
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