Vitas-M small molecule compound

4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butanamide

Catalog ID
STL042221
SMILES O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)c1cccc(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 C20H24F3N5O2S MW 455.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24F3N5O2S/c1-13(2)18-25-26-19(31-18)24-16(29)6-7-17(30)28-10-8-27(9-11-28)15-5-3-4-14(12-15)20(21,22)23/h3-5,12-13H,6-11H2,1-2H3,(H,24,26,29)
InChIKey
IFSXURBLZZKUPV-UHFFFAOYSA-N
Synonyms
714226-62-7
4oxoN((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)4(4(3(trifluoromethyl)phenyl)piperazin1yl)butanamide
4OXON(5(PROPAN2YL)134THIADIAZOL2YL)4(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)BUTANAMIDE
4OXON(5PROPAN2YL134THIADIAZOL2YL)4(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)BUTANAMIDE
714226627
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC20H24F3N5O2Sc113(2)18252619(3118)2416(29)6717(30)2810827(91128)1553414(1215)20(2122)23h351213H611H212H3(H242629)
MFCD05727954
O=C(N=c1(nH)nc(s1)C(C)C)CCC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
ZINC000009157940
ZINC09157940
ZINC9157940

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Available files

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