Vitas-M small molecule compound
methyl 4-[(E)-(2-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propanoyl}hydrazinylidene)methyl]benzoate
Catalog ID
STK756598
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)C(Sc1nc(C)cc(n1)C)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 C18H20N4O3S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O3S/c1-11-9-12(2)21-18(20-11)26-13(3)16(23)22-19-10-14-5-7-15(8-6-14)17(24)25-4/h5-10,13H,1-4H3,(H,22,23)/b19-10+InChIKey
GRKMLBMFRLNAGW-VXLYETTFSA-NSynonyms
CC1=CC(=NC(=N1)SC(C)C(=O)NN=CC2=CC=C(C=C2)C(=O)OC)C
COC(=O)c1ccc(cc1)C=NNC(=O)C(Sc1nc(C)cc(n1)C)C
InChI=1SC18H20N4O3Sc111912(2)2118(2011)2613(3)16(23)221910145715(8614)17(24)254h51013H14H3(H2223)b1910+
methyl4((E)(2(2((46dimethylpyrimidin2yl)sulfanyl)propanoyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2(46dimethylpyrimidin2yl)sulfanylpropanoylhydrazinylidene)methyl)benzoate
MFCD01234606
ZINC000001058919
ZINC000012446239
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