Vitas-M small molecule compound

ethyl 6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL107645
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)OC)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 C25H29N5O6 MW 495.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O6/c1-3-36-24(31)22-21(26-25(32)27-23(22)17-4-6-19(7-5-17)30(33)34)16-28-12-14-29(15-13-28)18-8-10-20(35-2)11-9-18/h4-11,23H,3,12-16H2,1-2H3,(H2,26,27,32)
InChIKey
RVEPQXQVFWGPIR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)OC)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=C(C=C4)OC
ethyl6((4(4methoxyphenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(4methoxyphenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H29N5O6c133624(31)2221(2625(32)2723(22)174619(7517)30(33)34)1628121429(151328)1881020(352)11918h41123H31216H212H3(H2262732)
MFCD20741573
ZINC000067286359
ZINC000067286361

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Available files

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