Vitas-M small molecule compound
ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK326281
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cc(Br)c(c(c1)OCC)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 C16H19BrN2O4S MW 415.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN2O4S/c1-4-22-11-7-9(6-10(17)14(11)20)13-12(15(21)23-5-2)8(3)18-16(24)19-13/h6-7,13,20H,4-5H2,1-3H3,(H2,18,19,24)InChIKey
YTXGWZYBZNQHQJ-UHFFFAOYSA-NSynonyms
352694-45-2352694452
CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)Br)O
ETHYL4(3BROMO5ETHOXY4HYDROXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3bromo5ethoxy4hydroxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC16H19BrN2O4Sc14221179(610(17)14(11)20)1312(15(21)2352)8(3)1816(24)1913h671320H45H213H3(H2181924)
MFCD01919885
ZINC000000997900
ZINC000000997901
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