Vitas-M small molecule compound
(5E)-1-(4-chlorophenyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175117
SMILES Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cccn2c2cccc(c2)[N+](=O)[O-])/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 C21H13ClN4O5 MW 436.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN4O5/c22-13-6-8-14(9-7-13)25-20(28)18(19(27)23-21(25)29)12-16-5-2-10-24(16)15-3-1-4-17(11-15)26(30)31/h1-12H,(H,23,27,29)/b18-12+InChIKey
FPFJVOBPCFMWHT-LDADJPATSA-NSynonyms
(5E)1(4CHLOROPHENYL)5((1(3NITROPHENYL)1HPYRROL2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(4CHLOROPHENYL)5((1(3NITROPHENYL)PYRROL2YL)METHYLIDENE)13DIAZINANE246TRIONE
C1=CC(=CC(=C1)(N+)(=O)(O))N2C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cccn2c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC21H13ClN4O5c22136814(9713)2520(28)18(19(27)2321(25)29)1216521024(16)1531417(1115)26(30)31h112H(H232729)b1812+
MFCD03706935
ZINC000002993304
ZINC2993304
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