Vitas-M small molecule compound

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

Catalog ID
STL441839
SMILES COc1ccc(cc1)c1csc(n1)n1nc(c2c1CCCC2)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 C18H16F3N3OS MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N3OS/c1-25-12-8-6-11(7-9-12)14-10-26-17(22-14)24-15-5-3-2-4-13(15)16(23-24)18(19,20)21/h6-10H,2-5H2,1H3
InChIKey
MPBMYVIDUIDQBH-UHFFFAOYSA-N
Synonyms

1(4(4methoxyphenyl)13thiazol2yl)3(trifluoromethyl)4567tetrahydro1Hindazole
4(4methoxyphenyl)2(3(trifluoromethyl)4567tetrahydroindazol1yl)13thiazole
COC1=CC=C(C=C1)C2=CSC(=N2)N3C4=C(CCCC4)C(=N3)C(F)(F)F
InChI=1SC18H16F3N3OSc125128611(7912)14102617(2214)2415532413(15)16(2324)18(1920)21h610H25H21H3
MFCD09992530
ZINC000025185993
ZINC25185993

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.