Vitas-M small molecule compound
3-({(E)-[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL372301
SMILES Clc1ccc(c(c1)Cl)n1c(C)cc(c1C)/C=N/n1cnc2c(c1=O)c1CCCCc1s2
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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 C23H20Cl2N4OS MW 471.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Cl2N4OS/c1-13-9-15(14(2)29(13)19-8-7-16(24)10-18(19)25)11-27-28-12-26-22-21(23(28)30)17-5-3-4-6-20(17)31-22/h7-12H,3-6H2,1-2H3/b27-11+InChIKey
NHSWFBGBYDPIOO-LUOAPIJWSA-NSynonyms
3(((E)(1(24dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(1(24dichlorophenyl)25dimethylpyrrol3yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5
Clc1ccc(c(c1)Cl)n1c(C)cc(c1C)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC23H20Cl2N4OSc113915(14(2)29(13)198716(24)1018(19)25)11272812262221(23(28)30)17534620(17)3122h712H36H212H3b2711+
MFCD28952369
ZINC000002995366
ZINC02995365
ZINC2995365
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