Vitas-M small molecule compound
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-{2-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
Catalog ID
STK676241
SMILES CCOc1ccc2c(c1)sc(n2)SCC(=O)Nc1ccc2c(c1)sc(n2)SCC(=O)Nc1cccc(c1)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 C27H21F3N4O3S4 MW 634.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21F3N4O3S4/c1-2-37-18-7-9-20-22(12-18)41-26(34-20)39-14-24(36)32-17-6-8-19-21(11-17)40-25(33-19)38-13-23(35)31-16-5-3-4-15(10-16)27(28,29)30/h3-12H,2,13-14H2,1H3,(H,31,35)(H,32,36)InChIKey
XHALIPCASPBRHL-UHFFFAOYSA-NSynonyms
2((6ethoxy13benzothiazol2yl)sulfanyl)N(2((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)13benzothiazol6yl)acetamide
2((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)N(2(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL13BENZOTHIAZOL6YL)ACETAMIDE
CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC=CC(=C5)C(F)(F)F
InChI=1SC27H21F3N4O3S4c123718792022(1218)4126(3420)391424(36)3217681921(1117)4025(3319)381323(35)311653415(1016)27(2829)30h312H21314H21H3(H3135)(H3236)
MFCD01580426
ZINC000033354237
ZINC33354237
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