Vitas-M small molecule compound
ethyl 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL027660
SMILES CCOC(=O)C1=C(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)NC(=O)NC1c1ccc(cc1)F
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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 C26H29FN4O5 MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN4O5/c1-2-34-25(32)23-20(28-26(33)29-24(23)18-4-6-19(27)7-5-18)15-31-11-9-30(10-12-31)14-17-3-8-21-22(13-17)36-16-35-21/h3-8,13,24H,2,9-12,14-16H2,1H3,(H2,28,29,33)InChIKey
JIIWNXTVJPBJHZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
ethyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)4(4fluorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)4(4fluorophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC26H29FN4O5c123425(32)2320(2826(33)2924(23)184619(27)7518)153111930(101231)1417382122(1317)36163521h381324H29121416H21H3(H2282933)
MFCD14913381
ZINC000095100968
ZINC000095100969
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