Vitas-M small molecule compound
(5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-6-hydroxy-3-(3-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK620069
SMILES Cc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C1=O)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 C22H14ClN3O6 MW 451.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O6/c1-12-3-2-4-13(9-12)25-21(28)17(20(27)24-22(25)29)11-15-6-8-19(32-15)16-7-5-14(26(30)31)10-18(16)23/h2-11H,1H3,(H,24,27,29)/b17-11+InChIKey
KNWJRGTUTVAADY-GZTJUZNOSA-NSynonyms
(5E)5((5(2CHLORO4NITROPHENYL)FURAN2YL)METHYLIDENE)1(3METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5((5(2chloro4nitrophenyl)furan2yl)methylidene)6hydroxy3(3methylphenyl)pyrimidine24(3H5H)dione
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)C(=O)NC2=O
Cc1cccc(c1)N1C(=O)N=C(C(=Cc2ccc(o2)c2ccc(cc2Cl)(N+)(=O)(O))C1=O)O
InChI=1SC22H14ClN3O6c11232413(912)2521(28)17(20(27)2422(25)29)11156819(3215)167514(26(30)31)1018(16)23h211H1H3(H242729)b1711+
MFCD09798804
ZINC000001199463
ZINC1199463
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