Vitas-M small molecule compound
(5E)-5-(3-bromo-4-hydroxybenzylidene)-1-(3-chloro-2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK136243
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(c(c1)Br)O)c1cccc(c1C)Cl
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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 C18H12BrClN2O3S MW 451.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrClN2O3S/c1-9-13(20)3-2-4-14(9)22-17(25)11(16(24)21-18(22)26)7-10-5-6-15(23)12(19)8-10/h2-8,23H,1H3,(H,21,24,26)/b11-7+InChIKey
NRHYJGRRQMGMJR-YRNVUSSQSA-NSynonyms
(5E)5((3bromo4hydroxyphenyl)methylidene)1(3chloro2methylphenyl)2sulfanylidene13diazinane46dione
(5E)5(3BROMO4HYDROXYBENZYLIDENE)1(3CHLORO2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC(=C(C=C3)O)Br)C(=O)NC2=S
InChI=1SC18H12BrClN2O3Sc1913(20)32414(9)2217(25)11(16(24)2118(22)26)7105615(23)12(19)810h2823H1H3(H212426)b117+
MFCD06662689
O=C1NC(=S)N(C(=O)C1=Cc1ccc(c(c1)Br)O)c1cccc(c1C)Cl
ZINC000009851164
ZINC09851164
ZINC9851164
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