Vitas-M small molecule compound
methyl 6-{[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL028066
SMILES COC(=O)C1=C(CN2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)NC1c1cccs1
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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 C20H28N4O5S MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O5S/c1-20(2,3)29-19(27)24-9-7-23(8-10-24)12-13-15(17(25)28-4)16(22-18(26)21-13)14-6-5-11-30-14/h5-6,11,16H,7-10,12H2,1-4H3,(H2,21,22,26)InChIKey
LPZJOVLTKZCPPJ-UHFFFAOYSA-NSynonyms
CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=CS3)C(=O)OC
InChI=1SC20H28N4O5Sc120(23)2919(27)249723(81024)121315(17(25)284)16(2218(26)2113)1465113014h561116H71012H214H3(H2212226)
methyl6((4((2methylpropan2yl)oxycarbonyl)piperazin1yl)methyl)2oxo4thiophen2yl34dihydro1Hpyrimidine5carboxylate
methyl6((4(tertbutoxycarbonyl)piperazin1yl)methyl)2oxo4(thiophen2yl)1234tetrahydropyrimidine5carboxylate
MFCD18188657
ZINC000057416027
ZINC000057416029
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