Vitas-M small molecule compound
ethyl 6-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK777895
SMILES CCOC(=O)C1=C(CSc2nc3c([nH]2)cccc3)NC(=O)NC1c1ccc(cc1)OC
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-3-30-20(27)18-17(12-31-22-24-15-6-4-5-7-16(15)25-22)23-21(28)26-19(18)13-8-10-14(29-2)11-9-13/h4-11,19H,3,12H2,1-2H3,(H,24,25)(H2,23,26,28)InChIKey
CAHNXZQIVHCZDE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CSc2nc3c((nH)2)cccc3)NC(=O)NC1c1ccc(cc1)OC
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=NC4=CC=CC=C4N3
ethyl6((1Hbenzimidazol2ylsulfanyl)methyl)4(4methoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6(1HBENZIMIDAZOL2YLSULFANYLMETHYL)4(4METHOXYPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H22N4O4Sc133020(27)1817(1231222415645716(15)2522)2321(28)2619(18)1381014(292)11913h41119H312H212H3(H2425)(H2232628)
MFCD05855501
ZINC000001426390
ZINC000001426391
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