Vitas-M small molecule compound
benzyl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK704629
SMILES CCOc1ccc(cc1OC)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 C22H24N2O4S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S/c1-4-27-17-11-10-16(12-18(17)26-3)20-19(14(2)23-22(29)24-20)21(25)28-13-15-8-6-5-7-9-15/h5-12,20H,4,13H2,1-3H3,(H2,23,24,29)InChIKey
FSENQPIQPWTENH-UHFFFAOYSA-NSynonyms
BENZYL4(4ETHOXY3METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl4(4ethoxy3methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)OC
InChI=1SC22H24N2O4Sc142717111016(1218(17)263)2019(14(2)2322(29)2420)21(25)2813158657915h51220H413H213H3(H2232429)
MFCD03132696
ZINC000005673722
ZINC000005673729
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