Vitas-M small molecule compound
ethyl 2-[3-(4-bromophenyl)-5-hydroxy-5-(1,1,2,2-tetrafluoroethyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL439578
SMILES CCOC(=O)c1csc(n1)N1N=C(CC1(O)C(C(F)F)(F)F)c1ccc(cc1)Br
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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 C17H14BrF4N3O3S MW 496.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrF4N3O3S/c1-2-28-13(26)12-8-29-15(23-12)25-16(27,17(21,22)14(19)20)7-11(24-25)9-3-5-10(18)6-4-9/h3-6,8,14,27H,2,7H2,1H3InChIKey
AVUAUPNESUURER-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CSC(=N1)N2C(CC(=N2)C3=CC=C(C=C3)Br)(C(C(F)F)(F)F)O
ethyl2(3(4bromophenyl)5hydroxy5(1122tetrafluoroethyl)45dihydro1Hpyrazol1yl)13thiazole4carboxylate
ethyl2(3(4bromophenyl)5hydroxy5(1122tetrafluoroethyl)4Hpyrazol1yl)13thiazole4carboxylate
InChI=1SC17H14BrF4N3O3Sc122813(26)1282915(2312)2516(2717(2122)14(19)20)711(2425)93510(18)649h3681427H27H21H3
MFCD06240722
ZINC000008750678
ZINC000008750685
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