Vitas-M small molecule compound
4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STK569151
SMILES O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
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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 C17H17F3N6O4S MW 458.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N6O4S/c18-17(19,20)15-22-23-16(31-15)21-13(27)5-6-14(28)25-9-7-24(8-10-25)11-1-3-12(4-2-11)26(29)30/h1-4H,5-10H2,(H,21,23,27)InChIKey
SPXFYFWRFHGSAH-UHFFFAOYSA-NSynonyms
714225-24-84(4(4nitrophenyl)piperazin1yl)4oxoN((2Z)5(trifluoromethyl)134thiadiazol2(3H)ylidene)butanamide
4(4(4NITROPHENYL)PIPERAZIN1YL)4OXON(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)BUTANAMIDE
714225248
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F
InChI=1SC17H17F3N6O4Sc1817(1920)15222316(3115)2113(27)5614(28)259724(81025)111312(4211)26(29)30h14H510H2(H212327)
MFCD05727708
O=C(N=c1(nH)nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000009282582
ZINC09282582
ZINC9282582
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