Vitas-M small molecule compound
methyl 6-{[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]methyl}-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL027895
SMILES COC(=O)C1=C(CN2CC(=O)N(C(=O)C2)CCc2ccccc2)NC(=O)NC1c1ccc(cc1)CC
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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 C27H30N4O5 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5/c1-3-18-9-11-20(12-10-18)25-24(26(34)36-2)21(28-27(35)29-25)15-30-16-22(32)31(23(33)17-30)14-13-19-7-5-4-6-8-19/h4-12,25H,3,13-17H2,1-2H3,(H2,28,29,35)InChIKey
KTMBKAVTAIRZHH-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)C(=O)OC
InChI=1SC27H30N4O5c131891120(121018)2524(26(34)362)21(2827(35)2925)15301622(32)31(23(33)1730)1413197546819h41225H31317H212H3(H2282935)
methyl6((35dioxo4(2phenylethyl)piperazin1yl)methyl)4(4ethylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((35dioxo4(2phenylethyl)piperazin1yl)methyl)4(4ethylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18188486
ZINC000067689662
ZINC000067689663
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