Vitas-M small molecule compound
tert-butyl 4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181563
SMILES COc1c(Br)cc(cc1OC)C1NC(=S)NC(=C1C(=O)OC(C)(C)C)C
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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 C18H23BrN2O4S MW 443.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrN2O4S/c1-9-13(16(22)25-18(2,3)4)14(21-17(26)20-9)10-7-11(19)15(24-6)12(8-10)23-5/h7-8,14H,1-6H3,(H2,20,21,26)InChIKey
URNUATMDGNIACW-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OC)OC)C(=O)OC(C)(C)C
InChI=1SC18H23BrN2O4Sc1913(16(22)2518(23)4)14(2117(26)209)10711(19)15(246)12(810)235h7814H16H3(H2202126)
MFCD05992085
TERTBUTYL4(3BROMO45DIMETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
tertbutyl4(3bromo45dimethoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ZINC000016361278
ZINC000016361280
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