Vitas-M small molecule compound
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL040477
SMILES O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1cccc(c1C)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 C19H22F3N5O2S MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22F3N5O2S/c1-12-4-3-5-14(13(12)2)26-8-10-27(11-9-26)16(29)7-6-15(28)23-18-25-24-17(30-18)19(20,21)22/h3-5H,6-11H2,1-2H3,(H,23,25,28)InChIKey
QEWDYIJJSUBXTP-UHFFFAOYSA-NSynonyms
714933-57-04(4(23dimethylphenyl)piperazin1yl)4oxoN((2Z)5(trifluoromethyl)134thiadiazol2(3H)ylidene)butanamide
4(4(23DIMETHYLPHENYL)PIPERAZIN1YL)4OXON(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BUTANAMIDE
714933570
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F)C
InChI=1SC19H22F3N5O2Sc11243514(13(12)2)2681027(11926)16(29)7615(28)2318252417(3018)19(2021)22h35H611H212H3(H232528)
MFCD05735665
O=C(N=c1(nH)nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1cccc(c1C)C
ZINC000017252492
ZINC17252492
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