Vitas-M small molecule compound
ethyl 6-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107657
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2C)NC(=O)NC1c1ccc(cc1)[N+](=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 C25H29N5O5 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5/c1-3-35-24(31)22-20(16-28-12-14-29(15-13-28)21-7-5-4-6-17(21)2)26-25(32)27-23(22)18-8-10-19(11-9-18)30(33)34/h4-11,23H,3,12-16H2,1-2H3,(H2,26,27,32)InChIKey
SPIBPXGCJJFMQH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2C)NC(=O)NC1c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)(N+)(=O)(O))CN3CCN(CC3)C4=CC=CC=C4C
ethyl6((4(2methylphenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(2methylphenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H29N5O5c133524(31)2220(1628121429(151328)21754617(21)2)2625(32)2723(22)1881019(11918)30(33)34h41123H31216H212H3(H2262732)
MFCD20741585
ZINC000067286424
ZINC000067286427
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