Vitas-M small molecule compound
(1S)-8-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Catalog ID
STL527818
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1cccc(c1)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 C19H18F3N3OS MW 393.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3OS/c20-19(21,22)14-3-1-4-15(8-14)23-18(27)24-9-12-7-13(11-24)16-5-2-6-17(26)25(16)10-12/h1-6,8,12-13H,7,9-11H2,(H,23,27)/t12?,13-/m0/s1InChIKey
JOQPWAFSGVNXBP-ABLWVSNPSA-NSynonyms
1212484-29-1(1~(S))6oxo~(N)(3(trifluoromethyl)phenyl)711diazatricyclo(7310^(27))trideca24diene11carbothioamide
(1R5R)8oxoN(3(trifluoromethyl)phenyl)4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1S)8oxoN(3(trifluoromethyl)phenyl)1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
1212484291
16398366
InChI=1SC19H18F3N3OSc2019(2122)1431415(814)2318(27)24912713(1124)1652617(26)25(16)1012h1681213H7911H2(H2327)t12?13m0s1
MFCD03661867
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Nc1cccc(c1)C(F)(F)F
ZINC000002091318
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