Vitas-M small molecule compound

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-2,3,3a,4,5,6,7,8-octahydrocyclohepta[c]pyrazol-3-ol

Catalog ID
STL448582
SMILES Brc1ccc(cc1)c1csc(n1)N1N=C2C(C1(O)C(F)(F)F)CCCCC2

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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 C18H17BrF3N3OS MW 460.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrF3N3OS/c19-12-8-6-11(7-9-12)15-10-27-16(23-15)25-17(26,18(20,21)22)13-4-2-1-3-5-14(13)24-25/h6-10,13,26H,1-5H2
InChIKey
JUNXAMYJJQYKDH-UHFFFAOYSA-N
Synonyms

2(4(4bromophenyl)13thiazol2yl)3(trifluoromethyl)233a45678octahydrocyclohepta(c)pyrazol3ol
2(4(4bromophenyl)13thiazol2yl)3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol3ol
C1CCC2C(=NN(C2(C(F)(F)F)O)C3=NC(=CS3)C4=CC=C(C=C4)Br)CC1
InChI=1SC18H17BrF3N3OSc19128611(7912)15102716(2315)2517(2618(2021)22)134213514(13)2425h6101326H15H2
MFCD08060458
ZINC000016957668
ZINC000016957673

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Available files

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