Vitas-M small molecule compound

methyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL435785
SMILES COC(=O)C1=C(CSc2nccn2C)NC(=O)NC1c1ccc(cc1)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 C18H20N4O3S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O3S/c1-11-4-6-12(7-5-11)15-14(16(23)25-3)13(20-17(24)21-15)10-26-18-19-8-9-22(18)2/h4-9,15H,10H2,1-3H3,(H2,20,21,24)
InChIKey
LFVJFNFQVQZVOJ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CSC3=NC=CN3C)C(=O)OC
InChI=1SC18H20N4O3Sc1114612(7511)1514(16(23)253)13(2017(24)2115)102618198922(18)2h4915H10H213H3(H2202124)
methyl6(((1methyl1Himidazol2yl)sulfanyl)methyl)4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
METHYL6((1METHYLIMIDAZOL2YL)SULFANYLMETHYL)4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD07155381
ZINC000004911390
ZINC000004911394

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.