Vitas-M small molecule compound

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide

Catalog ID
STL041329
SMILES CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2nc(C)cc(n2)C)/s1

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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 C19H27N7O2S MW 417.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N7O2S/c1-4-5-16-23-24-19(29-16)22-15(27)6-7-17(28)25-8-10-26(11-9-25)18-20-13(2)12-14(3)21-18/h12H,4-11H2,1-3H3,(H,22,24,27)
InChIKey
BETYEEBQUBTSHB-UHFFFAOYSA-N
Synonyms
714931-07-4
4(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)4OXON((2Z)5PROPYL134THIADIAZOL2(3H)YLIDENE)BUTANAMIDE
4(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)4OXON(5PROPYL(134)THIADIAZOL2YL)BUTYRAMIDE
4(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)4OXON(5PROPYL134THIADIAZOL2YL)BUTANAMIDE
714931074
CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=NC(=CC(=N3)C)C
CCCc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)c2nc(C)cc(n2)C)s1
InChI=1SC19H27N7O2Sc14516232419(2916)2215(27)6717(28)2581026(11925)182013(2)1214(3)2118h12H411H213H3(H222427)
MFCD05734625
ZINC000005164409
ZINC05164409
ZINC5164409

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Available files

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