Vitas-M small molecule compound
methyl 6-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL435772
SMILES COc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OC)CSc1nc2c([nH]1)cccc2
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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-28-13-9-7-12(8-10-13)18-17(19(26)29-2)16(22-20(27)25-18)11-30-21-23-14-5-3-4-6-15(14)24-21/h3-10,18H,11H2,1-2H3,(H,23,24)(H2,22,25,27)InChIKey
YSNOCLFYBFPYNG-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OC
COc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OC)CSc1nc2c((nH)1)cccc2
InChI=1SC21H20N4O4Sc128139712(81013)1817(19(26)292)16(2220(27)2518)1130212314534615(14)2421h31018H11H212H3(H2324)(H2222527)
methyl6((1Hbenzimidazol2ylsulfanyl)methyl)4(4methoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
METHYL6(1HBENZIMIDAZOL2YLSULFANYLMETHYL)4(4METHOXYPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD07155624
ZINC000008994156
ZINC000008994159
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