Vitas-M small molecule compound
cyclooctyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK068383
SMILES O=C1NC(=C(C(N1)c1ccc2c(c1)OCO2)C(=O)OC1CCCCCCC1)C
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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 C21H26N2O5 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5/c1-13-18(20(24)28-15-7-5-3-2-4-6-8-15)19(23-21(25)22-13)14-9-10-16-17(11-14)27-12-26-16/h9-11,15,19H,2-8,12H2,1H3,(H2,22,23,25)InChIKey
XVUAKYNXGLGXST-UHFFFAOYSA-NSynonyms
299945-28-1299945281
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC4CCCCCCC4
cyclooctyl4(13benzodioxol5yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CYCLOOCTYL4(13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CYCLOOCTYL6(2HBENZO(34D)13DIOXOLEN5YL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H26N2O5c11318(20(24)2815753246815)19(2321(25)2213)149101617(1114)27122616h9111519H2812H21H3(H2222325)
MFCD00630153
O=C1NC(=C(C(N1)c1ccc2c(c1)OCO2)C(=O)OC1CCCCCCC1)C
STK068383
ZINC000000973453
ZINC000000973454
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