Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL372548
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1cc(n(c1C)c1ccccc1)C)Cc1ccc2c(c1)OCO2
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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 C25H21N3O5 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5/c1-15-10-18(16(2)28(15)19-6-4-3-5-7-19)12-20-23(29)26-25(31)27(24(20)30)13-17-8-9-21-22(11-17)33-14-32-21/h3-12H,13-14H2,1-2H3,(H,26,29,31)/b20-12+InChIKey
JZVXQEFJQLRMDT-UDWIEESQSA-NSynonyms
(5E)1(13benzodioxol5ylmethyl)5((25dimethyl1phenyl1Hpyrrol3yl)methylidene)pyrimidine246(1H3H5H)trione
(5E)1(13benzodioxol5ylmethyl)5((25dimethyl1phenylpyrrol3yl)methylidene)13diazinane246trione
CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5
InChI=1SC25H21N3O5c1151018(16(2)28(15)196435719)122023(29)2625(31)27(24(20)30)1317892122(1117)33143221h312H1314H212H3(H262931)b2012+
MFCD04237423
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1)C)Cc1ccc2c(c1)OCO2
ZINC000096234411
ZINC96234411
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