Vitas-M small molecule compound
(2E)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
Catalog ID
STK881172
SMILES CCCCSc1ccc(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 C28H26N4O2S MW 482.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2S/c1-2-3-16-35-26-13-11-21(12-14-26)27-23(20-32(31-27)24-8-5-4-6-9-24)17-22(18-29)28(33)30-19-25-10-7-15-34-25/h4-15,17,20H,2-3,16,19H2,1H3,(H,30,33)/b22-17+InChIKey
ABLCMVJOXAFKBD-OQKWZONESA-NSynonyms
(2E)3(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(furan2ylmethyl)prop2enamide
(E)3(3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)2CYANON(FURAN2YLMETHYL)PROP2ENAMIDE
(Z)3(3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(furan2ylmethyl)acrylamide
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CO3)C4=CC=CC=C4
InChI=1SC28H26N4O2Sc123163526131121(121426)2723(2032(3127)248546924)1722(1829)28(33)301925107153425h4151720H231619H21H3(H3033)b2217+
MFCD18075884
ZINC000002246439
ZINC02246439
ZINC2246439
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