Vitas-M small molecule compound
(5E)-1-(2-chlorobenzyl)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL417102
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1cc(n(c1C)c1cccc(c1)[N+](=O)[O-])C)Cc1ccccc1Cl
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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 C24H19ClN4O5 MW 478.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN4O5/c1-14-10-17(15(2)28(14)18-7-5-8-19(12-18)29(33)34)11-20-22(30)26-24(32)27(23(20)31)13-16-6-3-4-9-21(16)25/h3-12H,13H2,1-2H3,(H,26,30,32)/b20-11+InChIKey
OVLLCANZXQPQGM-RGVLZGJSSA-NSynonyms
(5E)1((2CHLOROPHENYL)METHYL)5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(2chlorobenzyl)5((25dimethyl1(3nitrophenyl)1Hpyrrol3yl)methylidene)pyrimidine246(1H3H5H)trione
CC1=CC(=C(N1C2=CC(=CC=C2)(N+)(=O)(O))C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4Cl
InChI=1SC24H19ClN4O5c1141017(15(2)28(14)1875819(1218)29(33)34)112022(30)2624(32)27(23(20)31)1316634921(16)25h312H13H212H3(H263032)b2011+
MFCD03994499
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)(N+)(=O)(O))C)Cc1ccccc1Cl
ZINC000016266801
ZINC16266801
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