Vitas-M small molecule compound
(5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-2,6-dioxo-4-phenyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK907526
SMILES N#CC1=C(c2ccccc2)/C(=C/c2ccc(o2)c2ccccc2Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
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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 C27H19ClN2O5S MW 518.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN2O5S/c28-23-9-5-4-8-20(23)24-11-10-19(35-24)14-21-25(17-6-2-1-3-7-17)22(15-29)27(32)30(26(21)31)18-12-13-36(33,34)16-18/h1-11,14,18H,12-13,16H2/b21-14-InChIKey
XNFIUJVEKIRFEK-STZFKDTASA-NSynonyms
(5Z)5((5(2chlorophenyl)furan2yl)methylidene)1(11dioxidotetrahydrothiophen3yl)26dioxo4phenyl1256tetrahydropyridine3carbonitrile
(5Z)5((5(2chlorophenyl)furan2yl)methylidene)1(11dioxothiolan3yl)26dioxo4phenylpyridine3carbonitrile
C1CS(=O)(=O)CC1N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4Cl)C(=C(C2=O)C#N)C5=CC=CC=C5
InChI=1SC27H19ClN2O5Sc2823954820(23)24111019(3524)142125(176213717)22(1529)27(32)30(26(21)31)18121336(3334)1618h1111418H121316H2b2114
MFCD07466697
N#CC1=C(c2ccccc2)C(=Cc2ccc(o2)c2ccccc2Cl)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000016750924
ZINC000016750927
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