Vitas-M small molecule compound
3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Catalog ID
STL441829
SMILES NC(=S)N1N=C2C(C1(O)C(F)(F)F)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 C9H12F3N3OS MW 267.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12F3N3OS/c10-9(11,12)8(16)5-3-1-2-4-6(5)14-15(8)7(13)17/h5,16H,1-4H2,(H2,13,17)InChIKey
CGTPEBJCRIOMLM-UHFFFAOYSA-NSynonyms
35179-58-935179589
3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazole2carbothioamide
3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazole2carbothioamide
C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=S)N
InChI=1SC9H12F3N3OSc109(1112)8(16)531246(5)1415(8)7(13)17h516H14H2(H21317)
MFCD07779578
ZINC000025185871
ZINC000025185893
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