Vitas-M small molecule compound
benzyl 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK704628
SMILES CC(CCOc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OCc1ccccc1)C)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 C24H28N2O3S MW 424.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O3S/c1-16(2)13-14-28-20-11-9-19(10-12-20)22-21(17(3)25-24(30)26-22)23(27)29-15-18-7-5-4-6-8-18/h4-12,16,22H,13-15H2,1-3H3,(H2,25,26,30)InChIKey
YBDYBKHVBHTHOF-UHFFFAOYSA-NSynonyms
BENZYL6METHYL4(4(3METHYLBUTOXY)PHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl6methyl4(4(3methylbutoxy)phenyl)2thioxo1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCCC(C)C)C(=O)OCC3=CC=CC=C3
InChI=1SC24H28N2O3Sc116(2)1314282011919(101220)2221(17(3)2524(30)2622)23(27)2915187546818h4121622H1315H213H3(H2252630)
MFCD04446605
ZINC000006307971
ZINC000006308048
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