Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-3-[(4-methylphenyl)carbonyl]-1-benzofuran-5,6-dicarbonitrile
Catalog ID
STL576495
SMILES COc1ccc(cc1)C1NC(=S)NC=C1c1oc2c(c1C(=O)c1ccc(cc1)C)cc(c(c2)C#N)C#N
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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 C29H20N4O3S MW 504.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N4O3S/c1-16-3-5-18(6-4-16)27(34)25-22-11-19(13-30)20(14-31)12-24(22)36-28(25)23-15-32-29(37)33-26(23)17-7-9-21(35-2)10-8-17/h3-12,15,26H,1-2H3,(H2,32,33,37)InChIKey
AZFPCNLYZOQJJL-UHFFFAOYSA-NSynonyms
2(4(4methoxyphenyl)2sulfanylidene34dihydro1Hpyrimidin5yl)3(4methylbenzoyl)1benzofuran56dicarbonitrile
2(4(4methoxyphenyl)2thioxo1234tetrahydropyrimidin5yl)3((4methylphenyl)carbonyl)1benzofuran56dicarbonitrile
46949542
InChI=1SC29H20N4O3Sc1163518(6416)27(34)25221119(1330)20(1431)1224(22)3628(25)23153229(37)3326(23)177921(352)10817h3121526H12H3(H2323337)
MFCD26097870
ZINC000066089258
ZINC000066089259
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