Vitas-M small molecule compound
benzyl 4-(4-butoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812097
SMILES CCCCOc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OCc1ccccc1)C
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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 C23H26N2O3S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O3S/c1-3-4-14-27-19-12-10-18(11-13-19)21-20(16(2)24-23(29)25-21)22(26)28-15-17-8-6-5-7-9-17/h5-13,21H,3-4,14-15H2,1-2H3,(H2,24,25,29)InChIKey
CSMWCRZJVSTRJY-UHFFFAOYSA-NSynonyms
BENZYL4(4BUTOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl4(4butoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3
InChI=1SC23H26N2O3Sc134142719121018(111319)2120(16(2)2423(29)2521)22(26)2815178657917h51321H341415H212H3(H2242529)
MFCD04445779
ZINC000006635675
ZINC000006635679
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