Vitas-M small molecule compound
ethyl 6-(5-bromo-2-butoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK109685
SMILES CCCCOc1ccc(cc1C1NC(=NC(=C1C(=O)OCC)C)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 C18H23BrN2O3S MW 427.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrN2O3S/c1-4-6-9-24-14-8-7-12(19)10-13(14)16-15(17(22)23-5-2)11(3)20-18(25)21-16/h7-8,10,16H,4-6,9H2,1-3H3,(H2,20,21,25)InChIKey
OOHGBNTZKMEMRD-UHFFFAOYSA-NSynonyms
CCCCOC1=C(C=C(C=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)OCC
ETHYL4(5BROMO2BUTOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(5BROMO2BUTOXYPHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC18H23BrN2O3Sc146924148712(19)1013(14)1615(17(22)2352)11(3)2018(25)2116h781016H469H213H3(H2202125)
MFCD03715854
ZINC000002818544
ZINC000002818545
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