Vitas-M small molecule compound
N'-[(1Z,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-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
STK996531
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)N/N=C\C(=C\c1ccccc1)\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 C28H25BrN4O2S2 MW 593.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25BrN4O2S2/c1-18-11-13-21(14-12-18)33-27(35)25-22-9-5-6-10-23(22)37-26(25)31-28(33)36-17-24(34)32-30-16-20(29)15-19-7-3-2-4-8-19/h2-4,7-8,11-16H,5-6,9-10,17H2,1H3,(H,32,34)/b20-15-,30-16-InChIKey
DEKUVERXWRDRCO-NBLQHWNFSA-NSynonyms
(E)N((Z)2bromo3phenylallylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC(=CC4=CC=CC=C4)Br)SC5=C3CCCC5
InChI=1SC28H25BrN4O2S2c118111321(141218)3327(35)25229561023(22)3726(25)3128(33)361724(34)32301620(29)15197324819h24781116H5691017H21H3(H3234)b20153016
MFCD03217700
N((1Z2Z)2bromo3phenylprop2en1ylidene)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((Z)((Z)2bromo3phenylprop2enylidene)amino)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)NN=CC(=Cc1ccccc1)Br
ZINC000100852531
ZINC01865769
ZINC1865769
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