Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170706
SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)N2CCCC2)/C1=O
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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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-13-9-14(2)11-15(10-13)24-20(26)17(19(25)22-21(24)27)12-16-5-6-18(28-16)23-7-3-4-8-23/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,22,25,27)/b17-12+InChIKey
DCONBWYOJJZHTO-SFQUDFHCSA-NSynonyms
(5E)1(35DIMETHYLPHENYL)5((5(PYRROLIDIN1YL)FURAN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(35DIMETHYLPHENYL)5((5PYRROLIDIN1YLFURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCC4)C(=O)NC2=O)C
Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)N2CCCC2)C1=O
InChI=1SC21H21N3O4c113914(2)1115(1013)2420(26)17(19(25)2221(24)27)12165618(2816)23734823h56912H3478H212H3(H222527)b1712+
MFCD02778792
ZINC000001180143
ZINC01180143
ZINC1180143
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