Vitas-M small molecule compound
N'-[(Z)-(4-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
STK996527
SMILES CCOc1ccc(cc1)/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/c1-3-35-21-14-10-19(11-15-21)16-29-31-24(33)17-36-28-30-26-25(22-6-4-5-7-23(22)37-26)27(34)32(28)20-12-8-18(2)9-13-20/h8-16H,3-7,17H2,1-2H3,(H,31,33)/b29-16-InChIKey
LWVULMHVBMIJPB-MWLSYYOVSA-NSynonyms
(E)N(4ethoxybenzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
CCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)C
CCOc1ccc(cc1)C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
InChI=1SC28H28N4O3S2c133521141019(111521)16293124(33)173628302625(22645723(22)3726)27(34)32(28)2012818(2)91320h816H3717H212H3(H3133)b2916
MFCD03217744
N((Z)(4ethoxyphenyl)methylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((Z)(4ethoxyphenyl)methylideneamino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000100852490
ZINC100973835
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.