Vitas-M small molecule compound
N'-{(E)-[3-(benzyloxy)-4-methoxyphenyl]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
STL409037
SMILES COc1ccc(cc1OCc1ccccc1)/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 C34H32N4O4S2 MW 624.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N4O4S2/c1-22-12-15-25(16-13-22)38-33(40)31-26-10-6-7-11-29(26)44-32(31)36-34(38)43-21-30(39)37-35-19-24-14-17-27(41-2)28(18-24)42-20-23-8-4-3-5-9-23/h3-5,8-9,12-19H,6-7,10-11,20-21H2,1-2H3,(H,37,39)/b35-19+InChIKey
MKUIGFZSMLVCLP-XZYGTATASA-NSynonyms
(E)N(3(benzyloxy)4methoxybenzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=CC(=C(C=C4)OC)OCC5=CC=CC=C5)SC6=C3CCCC6
COc1ccc(cc1OCc1ccccc1)C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
InChI=1SC34H32N4O4S2c122121525(161322)3833(40)312610671129(26)4432(31)3634(38)432130(39)37351924141727(412)28(1824)4220238435923h35891219H6710112021H212H3(H3739)b3519+
MFCD03674041
N((E)(3(benzyloxy)4methoxyphenyl)methylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((E)(4methoxy3phenylmethoxyphenyl)methylideneamino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000100973852
ZINC100858830
Check stock
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Check stock on Vitas-MAvailable files
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