Vitas-M small molecule compound
ethyl 6-(5-bromo-2-butoxyphenyl)-4-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK041603
SMILES CCCCOc1ccc(cc1C1NC(=NC(=C1C(=O)OCC)c1ccccc1)S)Br
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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 C23H25BrN2O3S MW 489.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN2O3S/c1-3-5-13-29-18-12-11-16(24)14-17(18)21-19(22(27)28-4-2)20(25-23(30)26-21)15-9-7-6-8-10-15/h6-12,14,21H,3-5,13H2,1-2H3,(H2,25,26,30)InChIKey
SZMBRQTXTWWHEB-UHFFFAOYSA-NSynonyms
CCCCOC1=C(C=C(C=C1)Br)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC
CCCCOc1ccc(cc1C1NC(=NC(=C1C(=O)OCC)c1ccccc1)S)Br
ETHYL4(5BROMO2BUTOXYPHENYL)6PHENYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(5BROMO2BUTOXYPHENYL)4PHENYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC23H25BrN2O3Sc135132918121116(24)1417(18)2119(22(27)2842)20(2523(30)2621)1597681015h6121421H3513H212H3(H2252630)
MFCD04085926
STK041603
ZINC000096288446
ZINC000096288447
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