Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-{[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK683639
SMILES CCOC(=O)C1=C(CN2CCN(CC2)C23CC4CC(C3)CC(C2)C4)NC(=O)NC1c1ccc2c(c1)OCO2
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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 C29H38N4O5 MW 522.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N4O5/c1-2-36-27(34)25-22(30-28(35)31-26(25)21-3-4-23-24(12-21)38-17-37-23)16-32-5-7-33(8-6-32)29-13-18-9-19(14-29)11-20(10-18)15-29/h3-4,12,18-20,26H,2,5-11,13-17H2,1H3,(H2,30,31,35)InChIKey
IDFXRZSTFMUSHL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4CCN(CC4)C56CC7CC(C5)CC(C7)C6
ethyl4(13benzodioxol5yl)2oxo6((4(tricyclo(3311~37~)dec1yl)piperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
ETHYL6((4(1ADAMANTYL)PIPERAZIN1YL)METHYL)4(13BENZODIOXOL5YL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC29H38N4O5c123627(34)2522(3028(35)3126(25)21342324(1221)38173723)16325733(8632)291318919(1429)1120(1018)1529h3412182026H25111317H21H3(H2303135)
MFCD05258449
ZINC000022828636
ZINC000022828639
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