Vitas-M small molecule compound
3-({(E)-[1-(4-fluorophenyl)-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
STK804690
SMILES Fc1ccc(cc1)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 C23H21FN4OS MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4OS/c1-14-11-16(15(2)28(14)18-9-7-17(24)8-10-18)12-26-27-13-25-22-21(23(27)29)19-5-3-4-6-20(19)30-22/h7-13H,3-6H2,1-2H3/b26-12+InChIKey
OTHJDFDWJXOFOV-RPPGKUMJSA-NSynonyms
383894-90-4(E)3(((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(1(4fluorophenyl)25dimethylpyrrol3yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
383894904
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5
Fc1ccc(cc1)n1c(C)cc(c1C)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC23H21FN4OSc1141116(15(2)28(14)189717(24)81018)12262713252221(23(27)29)19534620(19)3022h713H36H212H3b2612+
MFCD01184088
ZINC000002312171
ZINC2312170
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