Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2,6-dioxo-4-phenyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK907525
SMILES N#CC1=C(c2ccccc2)/C(=C/c2cn(nc2c2ccc(cc2)C)c2ccccc2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H26N4O4S MW 574.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N4O4S/c1-22-12-14-24(15-13-22)31-25(20-36(35-31)26-10-6-3-7-11-26)18-28-30(23-8-4-2-5-9-23)29(19-34)33(39)37(32(28)38)27-16-17-42(40,41)21-27/h2-15,18,20,27H,16-17,21H2,1H3/b28-18-InChIKey
CFHLRHFPIUDBCX-VEILYXNESA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)5((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)26dioxo4phenyl1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)5((3(4methylphenyl)1phenylpyrazol4yl)methylidene)26dioxo4phenylpyridine3carbonitrile
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)C4CCS(=O)(=O)C4)C#N)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC33H26N4O4Sc122121424(151322)3125(2036(3531)26106371126)182830(238425923)29(1934)33(39)37(32(28)38)27161742(4041)2127h215182027H161721H21H3b2818
MFCD06646981
N#CC1=C(c2ccccc2)C(=Cc2cn(nc2c2ccc(cc2)C)c2ccccc2)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000097946808
ZINC000097946809
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