Vitas-M small molecule compound
N'-[(Z)-(5-bromo-2-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
STL407145
SMILES COc1ccc(cc1/C=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)Br
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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 C27H25BrN4O3S2 MW 597.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN4O3S2/c1-16-7-10-19(11-8-16)32-26(34)24-20-5-3-4-6-22(20)37-25(24)30-27(32)36-15-23(33)31-29-14-17-13-18(28)9-12-21(17)35-2/h7-14H,3-6,15H2,1-2H3,(H,31,33)/b29-14-InChIKey
AFXRZCKERWODQU-NUJZUDFISA-NSynonyms
(E)N(5bromo2methoxybenzylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=C(C=CC(=C4)Br)OC)SC5=C3CCCC5
COc1ccc(cc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)Br
InChI=1SC27H25BrN4O3S2c11671019(11816)3226(34)2420534622(20)3725(24)3027(32)361523(33)312914171318(28)91221(17)352h714H3615H212H3(H3133)b2914
MFCD03217754
N((Z)(5bromo2methoxyphenyl)methylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((Z)(5bromo2methoxyphenyl)methylideneamino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000100852472
ZINC01848991
ZINC1848991
Check stock
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Check stock on Vitas-MAvailable files
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