Vitas-M small molecule compound
(5Z)-1-(3,4-dimethylphenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK062441
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(o1)N1CCOCC1)c1ccc(c(c1)C)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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-13-3-4-15(11-14(13)2)24-20(26)17(19(25)22-21(24)27)12-16-5-6-18(29-16)23-7-9-28-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,22,25,27)/b17-12-InChIKey
VBXTVVKOHLNUQK-ATVHPVEESA-NSynonyms
426247-40-7(5Z)1(34DIMETHYLPHENYL)5((5(MORPHOLIN4YL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(34DIMETHYLPHENYL)5((5MORPHOLIN4YLFURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
426247407
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCOCC4)C(=O)NC2=O)C
InChI=1SC21H21N3O5c1133415(1114(13)2)2420(26)17(19(25)2221(24)27)12165618(2916)23792810823h361112H710H212H3(H222527)b1712
MFCD02611715
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)N1CCOCC1)c1ccc(c(c1)C)C
STK062441
ZINC000005753696
ZINC05753696
ZINC5753696
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