Vitas-M small molecule compound
methyl 4-(2,5-dimethylphenyl)-6-{[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL435850
SMILES CCOc1ccc2c(c1)nc([nH]2)SCC1=C(C(=O)OC)C(NC(=O)N1)c1cc(C)ccc1C
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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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-5-32-15-8-9-17-18(11-15)27-24(26-17)33-12-19-20(22(29)31-4)21(28-23(30)25-19)16-10-13(2)6-7-14(16)3/h6-11,21H,5,12H2,1-4H3,(H,26,27)(H2,25,28,30)InChIKey
MUFVDOPQTRGBGH-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(C(NC(=O)N3)C4=C(C=CC(=C4)C)C)C(=O)OC
CCOc1ccc2c(c1)nc((nH)2)SCC1=C(C(=O)OC)C(NC(=O)N1)c1cc(C)ccc1C
InChI=1SC24H26N4O4Sc153215891718(1115)2724(2617)33121920(22(29)314)21(2823(30)2519)161013(2)6714(16)3h61121H512H214H3(H2627)(H2252830)
methyl4(25dimethylphenyl)6(((5ethoxy1Hbenzimidazol2yl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
METHYL4(25DIMETHYLPHENYL)6((6ETHOXY1HBENZIMIDAZOL2YL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD06632592
ZINC000016474652
ZINC000016474655
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