Vitas-M small molecule compound

methyl 6-(1H-benzimidazol-1-ylmethyl)-4-(2-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL435783
SMILES COC(=O)C1=C(NC(=O)NC1c1ccccc1Cl)Cn1cnc2c1cccc2

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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 C20H17ClN4O3 MW 396.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3/c1-28-19(26)17-15(10-25-11-22-14-8-4-5-9-16(14)25)23-20(27)24-18(17)12-6-2-3-7-13(12)21/h2-9,11,18H,10H2,1H3,(H2,23,24,27)
InChIKey
GAEBIIZZSUXVPR-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)CN3C=NC4=CC=CC=C43
InChI=1SC20H17ClN4O3c12819(26)1715(1025112214845916(14)25)2320(27)2418(17)12623713(12)21h291118H10H21H3(H2232427)
methyl6(1Hbenzimidazol1ylmethyl)4(2chlorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
METHYL6(BENZIMIDAZOL1YLMETHYL)4(2CHLOROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD07155101
ZINC000004934946
ZINC000004934949

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Available files

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