Vitas-M small molecule compound

ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-{[(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)amino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK683634
SMILES CCOC(=O)C1=C(CNCC23CC4CC(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 C26H33N3O5 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O5/c1-2-32-24(30)22-19(12-27-13-26-9-15-5-16(10-26)7-17(6-15)11-26)28-25(31)29-23(22)18-3-4-20-21(8-18)34-14-33-20/h3-4,8,15-17,23,27H,2,5-7,9-14H2,1H3,(H2,28,29,31)
InChIKey
PZUQNBSYESHTBK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNCC45CC6CC(C4)CC(C6)C5
ethyl4(13benzodioxol5yl)2oxo6(((tricyclo(3311~37~)dec1ylmethyl)amino)methyl)1234tetrahydropyrimidine5carboxylate
ETHYL6((1ADAMANTYLMETHYLAMINO)METHYL)4(13BENZODIOXOL5YL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC26H33N3O5c123224(30)2219(12271326915516(1026)717(615)1126)2825(31)2923(22)18342021(818)34143320h34815172327H257914H21H3(H2282931)
MFCD05258433
ZINC000004502039
ZINC000012412580

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Available files

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