Vitas-M small molecule compound
(5Z)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-2,6-dioxo-4-phenyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908359
SMILES N#CC1=C(c2ccccc2)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)C)/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 C29H22N2O6S MW 526.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O6S/c1-18(32)19-7-9-20(10-8-19)26-12-11-23(37-26)15-24-27(21-5-3-2-4-6-21)25(16-30)29(34)31(28(24)33)22-13-14-38(35,36)17-22/h2-12,15,22H,13-14,17H2,1H3/b24-15-InChIKey
PZBQDVNCJSLXME-IWIPYMOSSA-NSynonyms
(5Z)5((5(4acetylphenyl)furan2yl)methylidene)1(11dioxidotetrahydrothiophen3yl)26dioxo4phenyl1256tetrahydropyridine3carbonitrile
(5Z)5((5(4acetylphenyl)furan2yl)methylidene)1(11dioxothiolan3yl)26dioxo4phenylpyridine3carbonitrile
CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=C(C(=O)N(C3=O)C4CCS(=O)(=O)C4)C#N)C5=CC=CC=C5
InChI=1SC29H22N2O6Sc118(32)197920(10819)26121123(3726)152427(215324621)25(1630)29(34)31(28(24)33)22131438(3536)1722h2121522H131417H21H3b2415
MFCD06647770
N#CC1=C(c2ccccc2)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)C)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000097946816
ZINC000097946817
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