Vitas-M small molecule compound
N-benzyl-4-(3-ethoxy-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Catalog ID
STL169497
SMILES CCOc1cc(ccc1OC)C1NC(=S)NC(=C1C(=O)NCc1ccccc1)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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-4-28-18-12-16(10-11-17(18)27-3)20-19(14(2)24-22(29)25-20)21(26)23-13-15-8-6-5-7-9-15/h5-12,20H,4,13H2,1-3H3,(H,23,26)(H2,24,25,29)InChIKey
HDGLXCIZRSZMNN-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC=CC=C3)OC
InChI=1SC22H25N3O3Sc1428181216(101117(18)273)2019(14(2)2422(29)2520)21(26)2313158657915h51220H413H213H3(H2326)(H2242529)
MFCD05987320
NBENZYL4(3ETHOXY4METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
Nbenzyl4(3ethoxy4methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxamide
ZINC000001110100
ZINC000001110101
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