Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-7-tert-butyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol
Catalog ID
STL441689
SMILES CC(C1CCCC2C1=NN(C2(O)C(F)(F)F)c1nc2c(s1)cccc2)(C)C
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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 C19H22F3N3OS MW 397.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22F3N3OS/c1-17(2,3)11-7-6-8-12-15(11)24-25(18(12,26)19(20,21)22)16-23-13-9-4-5-10-14(13)27-16/h4-5,9-12,26H,6-8H2,1-3H3InChIKey
CEBFJVCUBNTZND-UHFFFAOYSA-NSynonyms
2(13benzothiazol2yl)7tertbutyl3(trifluoromethyl)33a4567hexahydro2Hindazol3ol
2(13benzothiazol2yl)7tertbutyl3(trifluoromethyl)4567tetrahydro3aHindazol3ol
CC(C)(C)C1CCCC2C1=NN(C2(C(F)(F)F)O)C3=NC4=CC=CC=C4S3
InChI=1SC19H22F3N3OSc117(23)117681215(11)2425(18(1226)19(2021)22)1623139451014(13)2716h4591226H68H213H3
MFCD09992511
ZINC000025185768
ZINC000036056941
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