Vitas-M small molecule compound
methyl 3-chloro-6-{[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)carbonothioyl]amino}-1-benzothiophene-2-carboxylate
Catalog ID
STK443757
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1C(C)CCc2c1ccc(c2)F
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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 C21H18ClFN2O2S2 MW 448.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN2O2S2/c1-11-3-4-12-9-13(23)5-8-16(12)25(11)21(28)24-14-6-7-15-17(10-14)29-19(18(15)22)20(26)27-2/h5-11H,3-4H2,1-2H3,(H,24,28)InChIKey
LALNJPKXGVYOMP-UHFFFAOYSA-NSynonyms
CC1CCC2=C(N1C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C=CC(=C2)F
InChI=1SC21H18ClFN2O2S2c1113412913(23)5816(12)25(11)21(28)2414671517(1014)2919(18(15)22)20(26)272h511H34H212H3(H2428)
methyl3chloro6(((6fluoro2methyl34dihydroquinolin1(2H)yl)carbonothioyl)amino)1benzothiophene2carboxylate
methyl3chloro6((6fluoro2methyl34dihydro2Hquinoline1carbothioyl)amino)1benzothiophene2carboxylate
MFCD04054979
ZINC000019648342
ZINC000019648345
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