Vitas-M small molecule compound
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL042937
SMILES Cc1ccc(c(c1)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F)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/c1-12-3-4-13(2)14(11-12)26-7-9-27(10-8-26)16(29)6-5-15(28)23-18-25-24-17(30-18)19(20,21)22/h3-4,11H,5-10H2,1-2H3,(H,23,25,28)InChIKey
ADQUXCDSEMBIKZ-UHFFFAOYSA-NSynonyms
714942-72-04(4(25dimethylphenyl)piperazin1yl)4oxoN((2Z)5(trifluoromethyl)134thiadiazol2(3H)ylidene)butanamide
4(4(25DIMETHYLPHENYL)PIPERAZIN1YL)4OXON(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BUTANAMIDE
714942720
CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F
Cc1ccc(c(c1)N1CCN(CC1)C(=O)CCC(=O)N=c1(nH)nc(s1)C(F)(F)F)C
InChI=1SC19H22F3N5O2Sc1123413(2)14(1112)267927(10826)16(29)6515(28)2318252417(3018)19(2021)22h3411H510H212H3(H232528)
MFCD05736808
ZINC000009193118
ZINC09193118
ZINC9193118
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