Vitas-M small molecule compound

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

Catalog ID
STL107649
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2cccc(c2)Cl)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 C24H26ClN5O5 MW 499.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5O5/c1-2-35-23(31)21-20(15-28-10-12-29(13-11-28)19-5-3-4-17(25)14-19)26-24(32)27-22(21)16-6-8-18(9-7-16)30(33)34/h3-9,14,22H,2,10-13,15H2,1H3,(H2,26,27,32)
InChIKey
UMGHHEDJMJFTGH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(CN2CCN(CC2)c2cccc(c2)Cl)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=C4)Cl
ethyl6((4(3chlorophenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(3chlorophenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC24H26ClN5O5c123523(31)2120(1528101229(131128)1953417(25)1419)2624(32)2722(21)166818(9716)30(33)34h391422H2101315H21H3(H2262732)
MFCD20741577
ZINC000067286379
ZINC000067286382

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Available files

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