Vitas-M small molecule compound
ethyl 4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK109080
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)COc1ccc(cc1)Br)OC
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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 C22H23BrN2O4S MW 491.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O4S/c1-4-28-21(26)19-13(2)24-22(30)25-20(19)14-5-10-18(27-3)15(11-14)12-29-17-8-6-16(23)7-9-17/h5-11,20H,4,12H2,1-3H3,(H2,24,25,30)InChIKey
HYXOIMLSDYDOTL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)C
ETHYL4(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3((4bromophenoxy)methyl)4methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC22H23BrN2O4Sc142821(26)1913(2)2422(30)2520(19)1451018(273)15(1114)1229178616(23)7917h51120H412H213H3(H2242530)
MFCD04126899
ZINC000001111593
ZINC000001111594
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