Vitas-M small molecule compound
ethyl 4-(2,5-diethoxyphenyl)-6-{[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK684367
SMILES CCOc1ccc(c(c1)C1NC(=O)NC(=C1C(=O)OCC)CSc1[nH]c2c(n1)cc(cc2)OCC)OCC
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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 C27H32N4O6S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O6S/c1-5-34-16-10-12-22(36-7-3)18(13-16)24-23(25(32)37-8-4)21(28-26(33)31-24)15-38-27-29-19-11-9-17(35-6-2)14-20(19)30-27/h9-14,24H,5-8,15H2,1-4H3,(H,29,30)(H2,28,31,33)InChIKey
HTBFFPJTYLMVGS-UHFFFAOYSA-NSynonyms
CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=C(N3)C=C(C=C4)OCC)C(=O)OCC
CCOc1ccc(c(c1)C1NC(=O)NC(=C1C(=O)OCC)CSc1(nH)c2c(n1)cc(cc2)OCC)OCC
ethyl4(25diethoxyphenyl)6(((5ethoxy1Hbenzimidazol2yl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(25DIETHOXYPHENYL)6((6ETHOXY1HBENZIMIDAZOL2YL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(25DIETHOXYPHENYL)4((5ETHOXYBENZIMIDAZOL2YLTHIO)METHYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC27H32N4O6Sc153416101222(3673)18(1316)2423(25(32)3784)21(2826(33)3124)153827291911917(3562)1420(19)3027h91424H5815H214H3(H2930)(H2283133)
MFCD05260530
ZINC000098007032
ZINC000098007033
Check stock
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Check stock on Vitas-MAvailable files
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