Vitas-M small molecule compound
3-{[3-(4-ethoxyphenyl)-5,5-dioxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-1-yl]methyl}benzonitrile
Catalog ID
STL145446
SMILES CCOc1ccc(cc1)N1C2CS(=O)(=O)CC2N(C1=O)Cc1cccc(c1)C#N
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-2-28-18-8-6-17(7-9-18)24-20-14-29(26,27)13-19(20)23(21(24)25)12-16-5-3-4-15(10-16)11-22/h3-10,19-20H,2,12-14H2,1H3InChIKey
RHWCIORNCJZQQS-UHFFFAOYSA-NSynonyms
3((3(4ethoxyphenyl)255trioxo3a466atetrahydrothieno(34d)imidazol1yl)methyl)benzonitrile
3((3(4ethoxyphenyl)55dioxido2oxohexahydro1Hthieno(34d)imidazol1yl)methyl)benzonitrile
CCOC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)CC4=CC=CC(=C4)C#N
InChI=1SC21H21N3O4Sc1228188617(7918)24201429(2627)1319(20)23(21(24)25)121653415(1016)1122h3101920H21214H21H3
MFCD08140604
ZINC000006817585
ZINC000006817592
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