Vitas-M small molecule compound
ethyl 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107648
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2Cl)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)21-19(15-28-11-13-29(14-12-28)20-6-4-3-5-18(20)25)26-24(32)27-22(21)16-7-9-17(10-8-16)30(33)34/h3-10,22H,2,11-15H2,1H3,(H2,26,27,32)InChIKey
VWQVMJICVOIYBG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2Cl)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=C4Cl
ethyl6((4(2chlorophenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(2chlorophenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC24H26ClN5O5c123523(31)2119(1528111329(141228)20643518(20)25)2624(32)2722(21)167917(10816)30(33)34h31022H21115H21H3(H2262732)
MFCD20741576
ZINC000067286375
ZINC000067286377
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