Vitas-M small molecule compound
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Catalog ID
STK566884
SMILES CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2nc(C)cc(n2)C)/s1)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 C20H29N7O2S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N7O2S/c1-13(2)11-17-24-25-20(30-17)23-16(28)5-6-18(29)26-7-9-27(10-8-26)19-21-14(3)12-15(4)22-19/h12-13H,5-11H2,1-4H3,(H,23,25,28)InChIKey
XIYKISAONTYRDU-UHFFFAOYSA-NSynonyms
714915-95-44(4(46dimethylpyrimidin2yl)piperazin1yl)N((2Z)5(2methylpropyl)134thiadiazol2(3H)ylidene)4oxobutanamide
4(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)N(5(2METHYLPROPYL)134THIADIAZOL2YL)4OXOBUTANAMIDE
4(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)N(5ISOBUTYL(134)THIADIAZOL2YL)4OXOBUTYRAMIDE
714915954
CC(Cc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)c2nc(C)cc(n2)C)s1)C
CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)CC(C)C)C
InChI=1SC20H29N7O2Sc113(2)1117242520(3017)2316(28)5618(29)267927(10826)192114(3)1215(4)2219h1213H511H214H3(H232528)
MFCD05732371
ZINC000017248375
ZINC17248375
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