Vitas-M small molecule compound
(5E)-5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191774
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(Br)cc(c2O)OC)/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/c1-3-28-14-6-4-5-13(10-14)23-19(26)15(18(25)22-20(23)29)8-11-7-12(21)9-16(27-2)17(11)24/h4-10,24H,3H2,1-2H3,(H,22,25,29)/b15-8+InChIKey
ICTWHTLWJCZPRH-OVCLIPMQSA-NSynonyms
(5E)5((5bromo2hydroxy3methoxyphenyl)methylidene)1(3ethoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(5BROMO2HYDROXY3METHOXYBENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)OC)Br)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(Br)cc(c2O)OC)C1=O
InChI=1SC20H17BrN2O5Sc13281464513(1014)2319(26)15(18(25)2220(23)29)811712(21)916(272)17(11)24h41024H3H212H3(H222529)b158+
MFCD06666541
ZINC000009933313
ZINC09933313
ZINC9933313
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