Vitas-M small molecule compound
4-[(1E)-1-(2-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}hydrazinylidene)ethyl]phenyl acetate
Catalog ID
STL146280
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)N/N=C(/c1ccc(cc1)OC(=O)C)\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 C28H26N4O4S2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S2/c1-17(19-12-14-21(15-13-19)36-18(2)33)30-31-24(34)16-37-28-29-26-25(22-10-6-7-11-23(22)38-26)27(35)32(28)20-8-4-3-5-9-20/h3-5,8-9,12-15H,6-7,10-11,16H2,1-2H3,(H,31,34)/b30-17+InChIKey
RIRCLGGPSLUDAQ-OCSSWDANSA-NSynonyms
497168-84-0(4((E)CmethylN((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)carbonimidoyl)phenyl)acetate
(E)4(1(2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetyl)hydrazono)ethyl)phenylacetate
4((1E)1(2(((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)ethyl)phenylacetate
497168840
CC(=NNC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4)C5=CC=C(C=C5)OC(=O)C
InChI=1SC28H26N4O4S2c117(19121421(151319)3618(2)33)303124(34)163728292625(2210671123(22)3826)27(35)32(28)208435920h35891215H67101116H212H3(H3134)b3017+
MFCD03222390
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)NN=C(c1ccc(cc1)OC(=O)C)C
ZINC000097939514
ZINC100974220
Check stock
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Check stock on Vitas-MAvailable files
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