Vitas-M small molecule compound
benzyl 6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812685
SMILES COc1cc(cc(c1OC)OC)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 C22H24N2O5S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S/c1-13-18(21(25)29-12-14-8-6-5-7-9-14)19(24-22(30)23-13)15-10-16(26-2)20(28-4)17(11-15)27-3/h5-11,19H,12H2,1-4H3,(H2,23,24,30)InChIKey
RCLDYBHNUNRDTF-UHFFFAOYSA-NSynonyms
BENZYL6METHYL2SULFANYLIDENE4(345TRIMETHOXYPHENYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl6methyl2thioxo4(345trimethoxyphenyl)1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC3=CC=CC=C3
InChI=1SC22H24N2O5Sc11318(21(25)2912148657914)19(2422(30)2313)151016(262)20(284)17(1115)273h51119H12H214H3(H2232430)
MFCD03132697
ZINC000001130112
ZINC000001130114
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