Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197665
SMILES COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cccc(c2)Br)cc(c1O)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 C18H12BrClN2O4S MW 467.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrClN2O4S/c1-26-14-7-9(6-13(20)15(14)23)5-12-16(24)21-18(27)22(17(12)25)11-4-2-3-10(19)8-11/h2-8,23H,1H3,(H,21,24,27)/b12-5+InChIKey
IKHYZFOKDJELFN-LFYBBSHMSA-NSynonyms
(5E)1(3BROMOPHENYL)5((3CHLORO4HYDROXY5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3BROMOPHENYL)5(3CHLORO4HYDROXY5METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
1(3BROMOPHENYL)5((3CHLORO4HYDROXY5METHOXYPHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)Cl)O
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(c2)Br)cc(c1O)Cl
InChI=1SC18H12BrClN2O4Sc1261479(613(20)15(14)23)51216(24)2118(27)22(17(12)25)1142310(19)811h2823H1H3(H212427)b125+
MFCD02044602
ZINC000000852855
ZINC00852855
ZINC852855
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