Vitas-M small molecule compound
ethyl 2-{[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]amino}-1,3-benzothiazole-6-carboxylate
Catalog ID
STK691167
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)NC1(N=C(N(C1=O)Cc1ccccc1)c1ccccc1)C(F)(F)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 C27H21F3N4O3S MW 538.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21F3N4O3S/c1-2-37-23(35)19-13-14-20-21(15-19)38-25(31-20)33-26(27(28,29)30)24(36)34(16-17-9-5-3-6-10-17)22(32-26)18-11-7-4-8-12-18/h3-15H,2,16H2,1H3,(H,31,33)InChIKey
VTPINALKQRPZHN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC3(C(=O)N(C(=N3)C4=CC=CC=C4)CC5=CC=CC=C5)C(F)(F)F
ethyl2((1benzyl5oxo2phenyl4(trifluoromethyl)45dihydro1Himidazol4yl)amino)13benzothiazole6carboxylate
ethyl2((1benzyl5oxo2phenyl4(trifluoromethyl)imidazol4yl)amino)13benzothiazole6carboxylate
InChI=1SC27H21F3N4O3Sc123723(35)1913142021(1519)3825(3120)3326(27(2829)30)24(36)34(161795361017)22(3226)18117481218h315H216H21H3(H3133)
MFCD09064175
ZINC000100229946
ZINC000100229948
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