Vitas-M small molecule compound
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK808488
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NC1CCS(=O)(=O)C1)\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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-2-33-23-10-8-18(9-11-23)24-20(16-29(28-24)22-6-4-3-5-7-22)14-19(15-26)25(30)27-21-12-13-34(31,32)17-21/h3-11,14,16,21H,2,12-13,17H2,1H3,(H,27,30)/b19-14+InChIKey
FVMYQLSSGCBQJP-XMHGGMMESA-NSynonyms
(2E)2cyanoN(11dioxidotetrahydrothiophen3yl)3(3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2CYANON(11DIOXOTHIOLAN3YL)3(3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4
CCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NC1CCS(=O)(=O)C1)C#N)c1ccccc1
InChI=1SC25H24N4O4Sc12332310818(91123)2420(1629(2824)226435722)1419(1526)25(30)2721121334(3132)1721h311141621H2121317H21H3(H2730)b1914+
MFCD02086823
ZINC000001105824
ZINC000015230915
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