Vitas-M small molecule compound
(5E)-3-(3-chloro-4-methylphenyl)-6-hydroxy-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK562221
SMILES OC1=NC(=O)N(C(=O)/C/1=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1)Cl)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 C22H14ClN3O6 MW 451.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O6/c1-12-5-6-14(10-18(12)23)25-21(28)17(20(27)24-22(25)29)11-16-7-8-19(32-16)13-3-2-4-15(9-13)26(30)31/h2-11H,1H3,(H,24,27,29)/b17-11+InChIKey
PTNCYVROXQDRGT-GZTJUZNOSA-NSynonyms
672344-23-9(5E)1(3CHLORO4METHYLPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(3chloro4methylphenyl)6hydroxy5((5(3nitrophenyl)furan2yl)methylidene)pyrimidine24(3H5H)dione
672344239
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)NC2=O)Cl
InChI=1SC22H14ClN3O6c1125614(1018(12)23)2521(28)17(20(27)2422(25)29)11167819(3216)1332415(913)26(30)31h211H1H3(H242729)b1711+
MFCD04075326
OC1=NC(=O)N(C(=O)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))c1ccc(c(c1)Cl)C
ZINC000009456878
ZINC9456878
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