Vitas-M small molecule compound
(5E)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374885
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(Br)c(c(c2)OC)O)/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 C20H17BrN2O5S MW 477.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5S/c1-3-28-13-6-4-12(5-7-13)23-19(26)14(18(25)22-20(23)29)8-11-9-15(21)17(24)16(10-11)27-2/h4-10,24H,3H2,1-2H3,(H,22,25,29)/b14-8+InChIKey
ZIPXLJPGNHOLEQ-RIYZIHGNSA-NSynonyms
(5E)5((3BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3bromo4hydroxy5methoxybenzylidene)1(4ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Br)c(c(c2)OC)O)C1=O
InChI=1SC20H17BrN2O5Sc1328136412(5713)2319(26)14(18(25)2220(23)29)811915(21)17(24)16(1011)272h41024H3H212H3(H222529)b148+
MFCD02211822
ZINC000002878712
ZINC02878712
ZINC2878712
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