Vitas-M small molecule compound
2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STL363674
SMILES N#Cc1ccccc1COc1ccc(cc1)C=C1C(=O)N(C)C(=S)N(C1=O)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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-23-19(25)18(20(26)24(2)21(23)28)11-14-7-9-17(10-8-14)27-13-16-6-4-3-5-15(16)12-22/h3-11H,13H2,1-2H3InChIKey
NPGJZJQWYSTHOQ-UHFFFAOYSA-NSynonyms
347386-14-52((4((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4((13DIMETHYL46DIOXO2THIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((4((13DIMETHYL46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzonitrile
347386145
CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C(=O)N(C1=S)C
InChI=1SC21H17N3O3Sc12319(25)18(20(26)24(2)21(23)28)11147917(10814)271316643515(16)1222h311H13H212H3
MFCD02608709
ZINC000000655855
ZINC00655855
ZINC655855
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