Vitas-M small molecule compound
(2E)-2-cyano-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-N-(prop-2-en-1-yl)prop-2-enamide
Catalog ID
STK800519
SMILES CCCSc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCC=C)\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 C25H24N4OS MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4OS/c1-3-14-27-25(30)20(17-26)16-21-18-29(22-8-6-5-7-9-22)28-24(21)19-10-12-23(13-11-19)31-15-4-2/h3,5-13,16,18H,1,4,14-15H2,2H3,(H,27,30)/b20-16+InChIKey
CJYRGYKTDZOEIY-CAPFRKAQSA-NSynonyms
(2E)2cyano3(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)N(prop2en1yl)prop2enamide
(E)2CYANO3(1PHENYL3(4PROPYLSULFANYLPHENYL)PYRAZOL4YL)NPROP2ENYLPROP2ENAMIDE
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)C3=CC=CC=C3
CCCSc1ccc(cc1)c1nn(cc1C=C(C(=O)NCC=C)C#N)c1ccccc1
InChI=1SC25H24N4OSc13142725(30)20(1726)16211829(228657922)2824(21)19101223(131119)311542h35131618H141415H22H3(H2730)b2016+
MFCD06642891
ZINC000016735727
ZINC16735727
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