Vitas-M small molecule compound
N'-[(Z)-(2-ethoxyphenyl)methylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
Catalog ID
STL146275
SMILES CCOc1ccccc1/C=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
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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 C28H28N4O3S2 MW 532.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S2/c1-3-35-22-10-6-4-8-19(22)16-29-31-24(33)17-36-28-30-26-25(21-9-5-7-11-23(21)37-26)27(34)32(28)20-14-12-18(2)13-15-20/h4,6,8,10,12-16H,3,5,7,9,11,17H2,1-2H3,(H,31,33)/b29-16-InChIKey
ZRRASVPNXWXWFB-MWLSYYOVSA-NSynonyms
(E)N(2ethoxybenzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
CCOC1=CC=CC=C1C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)C
CCOc1ccccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
InChI=1SC28H28N4O3S2c1335221064819(22)16293124(33)173628302625(219571123(21)3726)27(34)32(28)20141218(2)131520h468101216H35791117H212H3(H3133)b2916
MFCD03217767
N((Z)(2ethoxyphenyl)methylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((Z)(2ethoxyphenyl)methylideneamino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000100852459
ZINC100966924
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