Vitas-M small molecule compound
methyl 2-(1,3-benzothiazol-2-ylamino)-N-[(4-chlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
Catalog ID
STL330430
SMILES COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc1nc2c(s1)cccc2
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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 C18H13ClF3N3O3S MW 443.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClF3N3O3S/c1-28-15(27)17(18(20,21)22,24-14(26)10-6-8-11(19)9-7-10)25-16-23-12-4-2-3-5-13(12)29-16/h2-9H,1H3,(H,23,25)(H,24,26)InChIKey
CAQNQCRVOOFREX-UHFFFAOYSA-NSynonyms
COC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC18H13ClF3N3O3Sc12815(27)17(18(2021)222414(26)106811(19)9710)25162312423513(12)2916h29H1H3(H2325)(H2426)
METHYL2(13BENZOTHIAZOL2YLAMINO)2((4CHLOROBENZOYL)AMINO)333TRIFLUOROPROPANOATE
methyl2(13benzothiazol2ylamino)N((4chlorophenyl)carbonyl)333trifluoroalaninate
methyl2(benzo(d)thiazol2ylamino)2(4chlorobenzamido)333trifluoropropanoate
MFCD02934176
ZINC000008974240
ZINC000008974241
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