Vitas-M small molecule compound
ethyl 4-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK409706
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)COc1cc(C)c(cc1C(C)C)Cl)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 C26H31ClN2O4S MW 503.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O4S/c1-7-32-25(30)23-16(5)28-26(34)29-24(23)17-8-9-21(31-6)18(11-17)13-33-22-10-15(4)20(27)12-19(22)14(2)3/h8-12,14,24H,7,13H2,1-6H3,(H2,28,29,34)InChIKey
BBQKKNOTWDLPTH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)COC3=C(C=C(C(=C3)C)Cl)C(C)C)C
ethyl4(3((4chloro5methyl2(propan2yl)phenoxy)methyl)4methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ethyl4(3((4chloro5methyl2propan2ylphenoxy)methyl)4methoxyphenyl)6methyl2sulfanylidene34dihydro1Hpyrimidine5carboxylate
ETHYL6(3((4CHLORO5METHYL2(METHYLETHYL)PHENOXY)METHYL)4METHOXYPHENYL)4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC26H31ClN2O4Sc173225(30)2316(5)2826(34)2924(23)178921(316)18(1117)1333221015(4)20(27)1219(22)14(2)3h8121424H713H216H3(H2282934)
MFCD03786087
ZINC000012412658
ZINC000012412659
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