Vitas-M small molecule compound
N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Catalog ID
STL036376
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C25H20ClN5O4S2 MW 554.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O4S2/c26-18-11-10-15(12-19(18)31(34)35)13-27-29-21(32)14-36-25-28-23-22(17-8-4-5-9-20(17)37-23)24(33)30(25)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,29,32)/b27-13+InChIKey
ATDQMFSZAVJYAI-UVHMKAGCSA-NSynonyms
(E)N(4chloro3nitrobenzylidene)2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetohydrazide
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NN=CC5=CC(=C(C=C5)Cl)(N+)(=O)(O)
InChI=1SC25H20ClN5O4S2c2618111015(1219(18)31(34)35)13272921(32)143625282322(17845920(17)3723)24(33)30(25)166213716h13671013H458914H2(H2932)b2713+
MFCD03222403
N((E)(4chloro3nitrophenyl)methylidene)2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetohydrazide
N((E)(4chloro3nitrophenyl)methylideneamino)2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)NN=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001900657
ZINC102947716
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.