Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK437306
SMILES CCOC(=O)c1cc(sc1NC(=S)N1C(C)CCc2c1ccc(c2)F)Cc1ccccc1
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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 C25H25FN2O2S2 MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN2O2S2/c1-3-30-24(29)21-15-20(13-17-7-5-4-6-8-17)32-23(21)27-25(31)28-16(2)9-10-18-14-19(26)11-12-22(18)28/h4-8,11-12,14-16H,3,9-10,13H2,1-2H3,(H,27,31)InChIKey
PHLLXKWEKBKLDK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3C(CCC4=C3C=CC(=C4)F)C
ethyl5benzyl2(((6fluoro2methyl34dihydroquinolin1(2H)yl)carbonothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((6FLUORO2METHYL34DIHYDRO2HQUINOLINE1CARBOTHIOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC25H25FN2O2S2c133024(29)211520(13177546817)3223(21)2725(31)2816(2)910181419(26)111222(18)28h4811121416H391013H212H3(H2731)
MFCD03944899
ZINC000005948071
ZINC000005948073
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