Vitas-M small molecule compound
{2-bromo-6-ethoxy-4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]phenoxy}acetic acid
Catalog ID
STK959697
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cc(Br)c(c(c1)OCC)OCC(=O)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 C18H21BrN2O6S MW 473.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN2O6S/c1-4-25-12-7-10(6-11(19)16(12)27-8-13(22)23)15-14(17(24)26-5-2)9(3)20-18(28)21-15/h6-7,15H,4-5,8H2,1-3H3,(H,22,23)(H2,20,21,28)InChIKey
OMYBGOOWPVWWGJ-UHFFFAOYSA-NSynonyms
444934-93-4(2bromo6ethoxy4(5(ethoxycarbonyl)6methyl2thioxo1234tetrahydropyrimidin4yl)phenoxy)aceticacid
2(2BROMO6ETHOXY4(5ETHOXYCARBONYL6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN4YL)PHENOXY)ACETICACID
444934934
CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)OCC(=O)O
InChI=1SC18H21BrN2O6Sc142512710(611(19)16(12)27813(22)23)1514(17(24)2652)9(3)2018(28)2115h6715H458H213H3(H2223)(H2202128)
MFCD02606275
ZINC000008456204
ZINC000008456205
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