Vitas-M small molecule compound
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK703883
SMILES CCCOc1ccc(c(c1)C)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 C27H28N4O4S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S/c1-3-12-35-24-9-10-25(19(2)14-24)26-21(17-31(30-26)23-7-5-4-6-8-23)15-20(16-28)27(32)29-22-11-13-36(33,34)18-22/h4-10,14-15,17,22H,3,11-13,18H2,1-2H3,(H,29,32)/b20-15+InChIKey
QHYWBXVBIZIRPA-HMMYKYKNSA-NSynonyms
(2E)2cyanoN(11dioxidotetrahydrothiophen3yl)3(3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2CYANON(11DIOXOTHIOLAN3YL)3(3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
(Z)2cyanoN(11dioxidotetrahydrothiophen3yl)3(3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)acrylamide
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NC1CCS(=O)(=O)C1)C#N)c1ccccc1
InChI=1SC27H28N4O4Sc1312352491025(19(2)1424)2621(1731(3026)237546823)1520(1628)27(32)2922111336(3334)1822h41014151722H3111318H212H3(H2932)b2015+
MFCD04446019
ZINC000002369788
ZINC000026531921
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