Vitas-M small molecule compound
2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide
Catalog ID
STL337637
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)N/N=C/C(=C/c1ccccc1)/C
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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 C29H28N4O2S2 MW 528.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2S2/c1-19-12-14-22(15-13-19)33-28(35)26-23-10-6-7-11-24(23)37-27(26)31-29(33)36-18-25(34)32-30-17-20(2)16-21-8-4-3-5-9-21/h3-5,8-9,12-17H,6-7,10-11,18H2,1-2H3,(H,32,34)/b20-16+,30-17+InChIKey
QDTWKBDACSDOAS-NZAXMBIUSA-NSynonyms
613231-73-5(E)N((E)2methyl3phenylallylidene)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N((1E2E)2methyl3phenylprop2en1ylidene)acetohydrazide
2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N((E)((E)2methyl3phenylprop2enylidene)amino)acetamide
613231735
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC(=CC4=CC=CC=C4)C)SC5=C3CCCC5
InChI=1SC29H28N4O2S2c119121422(151319)3328(35)262310671124(23)3727(26)3129(33)361825(34)32301720(2)16218435921h35891217H67101118H212H3(H3234)b2016+3017+
MFCD03678199
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)NN=CC(=Cc1ccccc1)C
ZINC000002222959
ZINC100858835
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.