Vitas-M small molecule compound
5,5'-{[3-bromo-4-(dimethylamino)phenyl]methanediyl}bis(2-thioxodihydropyrimidine-4,6(1H,5H)-dione)
Catalog ID
STL477267
SMILES S=C1NC(=O)C(C(=O)N1)C(C1C(=O)NC(=S)NC1=O)c1ccc(c(c1)Br)N(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 C17H16BrN5O4S2 MW 498.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN5O4S2/c1-23(2)8-4-3-6(5-7(8)18)9(10-12(24)19-16(28)20-13(10)25)11-14(26)21-17(29)22-15(11)27/h3-5,9-11H,1-2H3,(H2,19,20,24,25,28)(H2,21,22,26,27,29)InChIKey
ZLEOLVYMTIPVKH-UHFFFAOYSA-NSynonyms
5((3bromo4(dimethylamino)phenyl)(46dioxo2sulfanylidene13diazinan5yl)methyl)2sulfanylidene13diazinane46dione
55((3bromo4(dimethylamino)phenyl)methanediyl)bis(2thioxodihydropyrimidine46(1H5H)dione)
CN(C)C1=C(C=C(C=C1)C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)Br
InChI=1SC17H16BrN5O4S2c123(2)8436(57(8)18)9(1012(24)1916(28)2013(10)25)1114(26)2117(29)2215(11)27h35911H12H3(H21920242528)(H22122262729)
MFCD30713134
ZINC000334161447
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