Vitas-M small molecule compound

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide

Catalog ID
STL049318
SMILES O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1nc(C)cc(n1)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 C17H20F3N7O2S MW 443.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20F3N7O2S/c1-10-9-11(2)22-15(21-10)27-7-5-26(6-8-27)13(29)4-3-12(28)23-16-25-24-14(30-16)17(18,19)20/h9H,3-8H2,1-2H3,(H,23,25,28)
InChIKey
GIJFGVDWCBNUBH-UHFFFAOYSA-N
Synonyms
714254-84-9
4(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)4OXON((2Z)5(TRIFLUOROMETHYL)134THIADIAZOL2(3H)YLIDENE)BUTANAMIDE
4(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)4OXON(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BUTANAMIDE
714254849
CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F)C
InChI=1SC17H20F3N7O2Sc110911(2)2215(2110)277526(6827)13(29)4312(28)2316252414(3016)17(1819)20h9H38H212H3(H232528)
MFCD05731882
O=C(N=c1(nH)nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1nc(C)cc(n1)C
ZINC000017247881
ZINC17247881

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Available files

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