Vitas-M small molecule compound
(5E)-1-benzyl-5-[1-(morpholin-4-ium-4-ylamino)propylidene]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL055093
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)[O-])/N[NH+]1CCOCC1
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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 C18H22N4O4 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4/c1-2-14(20-21-8-10-26-11-9-21)15-16(23)19-18(25)22(17(15)24)12-13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3,(H,19,23,25)/b15-14+InChIKey
LGLRJDKIDUXXHB-CCEZHUSRSA-NSynonyms
(5E)1benzyl5(1(morpholin4ium4ylamino)propylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1BENZYL5(1(MORPHOLIN4YLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)Cc1ccccc1)(O))N(NH+)1CCOCC1
CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NN3CCOCC3
InChI=1SC18H22N4O4c1214(20218102611921)1516(23)1918(25)22(17(15)24)12136435713h3720H2812H21H3(H192325)b1514+
MFCD18249655
ZINC000017246889
ZINC17246889
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