Vitas-M small molecule compound
3,4-dimethoxy-N-{2-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
Catalog ID
STK232910
SMILES COc1cc(ccc1OC)C(=O)Nc1ccc2c(c1)sc(n2)SCC(=O)Nc1ccccc1C(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 C25H20F3N3O4S2 MW 547.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F3N3O4S2/c1-34-19-10-7-14(11-20(19)35-2)23(33)29-15-8-9-18-21(12-15)37-24(31-18)36-13-22(32)30-17-6-4-3-5-16(17)25(26,27)28/h3-12H,13H2,1-2H3,(H,29,33)(H,30,32)InChIKey
DTNPDTKGAATAKW-UHFFFAOYSA-NSynonyms
34DIMETHOXYN(2((2OXO2((2(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)13BENZOTHIAZOL6YL)BENZAMIDE
34DIMETHOXYN(2((2OXO2(2(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL)13BENZOTHIAZOL6YL)BENZAMIDE
34DIMETHOXYN(2(2OXO2(2(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL13BENZOTHIAZOL6YL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4C(F)(F)F)OC
InChI=1SC25H20F3N3O4S2c1341910714(1120(19)352)23(33)2915891821(1215)3724(3118)361322(32)3017643516(17)25(2627)28h312H13H212H3(H2933)(H3032)
MFCD03864093
ZINC000002178056
ZINC02178056
ZINC2178056
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