Vitas-M small molecule compound
(5E)-5-[(5-bromo-1H-indol-3-yl)methylidene]-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372534
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2c[nH]c3c2cc(Br)cc3)/C1=O
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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 C21H16BrN3O2S MW 454.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O2S/c1-11-5-12(2)7-15(6-11)25-20(27)17(19(26)24-21(25)28)8-13-10-23-18-4-3-14(22)9-16(13)18/h3-10,23H,1-2H3,(H,24,26,28)/b17-8+InChIKey
YRCDAHSZYRFMFS-CAOOACKPSA-NSynonyms
(5E)5((5bromo1Hindol3yl)methylidene)1(35dimethylphenyl)2sulfanylidene13diazinane46dione
(5E)5((5bromo1Hindol3yl)methylidene)1(35dimethylphenyl)2thioxodihydropyrimidine46(1H5H)dione
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CNC4=C3C=C(C=C4)Br)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2c(nH)c3c2cc(Br)cc3)C1=O
InChI=1SC21H16BrN3O2Sc111512(2)715(611)2520(27)17(19(26)2421(25)28)8131023184314(22)916(13)18h31023H12H3(H242628)b178+
MFCD04235475
ZINC000096234390
ZINC96234390
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