Vitas-M small molecule compound
ethyl 4-(2,5-diethoxyphenyl)-6-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK777422
SMILES CCOC(=O)C1=C(CSc2nc3c([nH]2)ccc(c3)C)NC(=O)NC1c1cc(OCC)ccc1OCC
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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 C26H30N4O5S MW 510.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O5S/c1-5-33-16-9-11-21(34-6-2)17(13-16)23-22(24(31)35-7-3)20(27-25(32)30-23)14-36-26-28-18-10-8-15(4)12-19(18)29-26/h8-13,23H,5-7,14H2,1-4H3,(H,28,29)(H2,27,30,32)InChIKey
JNYDGMPKXHHFMY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CSc2nc3c((nH)2)ccc(c3)C)NC(=O)NC1c1cc(OCC)ccc1OCC
CCOC1=CC(=C(C=C1)OCC)C2C(=C(NC(=O)N2)CSC3=NC4=C(N3)C=C(C=C4)C)C(=O)OCC
ethyl4(25diethoxyphenyl)6(((5methyl1Hbenzimidazol2yl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(25DIETHOXYPHENYL)6((6METHYL1HBENZIMIDAZOL2YL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(25DIETHOXYPHENYL)4((5METHYLBENZIMIDAZOL2YLTHIO)METHYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC26H30N4O5Sc15331691121(3462)17(1316)2322(24(31)3573)20(2725(32)3023)143626281810815(4)1219(18)2926h81323H5714H214H3(H2829)(H2273032)
MFCD05260529
ZINC000001425289
ZINC000001425290
ZINC01425289
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.