Vitas-M small molecule compound
methyl {2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N''-(phenylcarbonyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
Catalog ID
STL070944
SMILES COC(=O)Cc1cc(=O)[nH]c(n1)N/C(=N/C(=O)c1ccccc1)/Nc1ccc2c(c1)OCCO2
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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 C23H21N5O6 MW 463.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O6/c1-32-20(30)13-16-12-19(29)26-22(25-16)28-23(27-21(31)14-5-3-2-4-6-14)24-15-7-8-17-18(11-15)34-10-9-33-17/h2-8,11-12H,9-10,13H2,1H3,(H3,24,25,26,27,28,29,31)InChIKey
BZHIYTKVHLWRDL-UHFFFAOYSA-NSynonyms
669745-75-9(E)methyl2(2(2benzoyl3(23dihydrobenzo(b)(14)dioxin6yl)guanidino)6oxo16dihydropyrimidin4yl)acetate
669745759
COC(=O)CC1=CC(=O)N=C(N1)NC(=NC(=O)C2=CC=CC=C2)NC3=CC4=C(C=C3)OCCO4
COC(=O)Cc1cc(=O)(nH)c(n1)NC(=NC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2
InChI=1SC23H21N5O6c13220(30)13161219(29)2622(2516)2823(2721(31)145324614)2415781718(1115)341093317h281112H91013H21H3(H324252627282931)
methyl(2(N(23dihydro14benzodioxin6yl)N(phenylcarbonyl)carbamimidamido)6oxo16dihydropyrimidin4yl)acetate
METHYL2(2(((1E)1(2H3HBENZO(34E)14DIOXIN6YLAMINO)3OXO3PHENYL2AZAPROP1ENYL)AMINO)6OXOHYDROPYRIMIDIN4YL)ACETATE
METHYL2(2((NBENZOYLN(23DIHYDRO14BENZODIOXIN6YL)CARBAMIMIDOYL)AMINO)4OXO1HPYRIMIDIN6YL)ACETATE
MFCD04192247
ZINC000015231456
ZINC15231456
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