Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-1,3-bis(2-fluorobenzyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK785752
SMILES CCOC(=O)C1=C(C)N(Cc2ccccc2F)C(=O)N(C1c1ccc2c(c1)OCO2)Cc1ccccc1F
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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 C29H26F2N2O5 MW 520.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F2N2O5/c1-3-36-28(34)26-18(2)32(15-20-8-4-6-10-22(20)30)29(35)33(16-21-9-5-7-11-23(21)31)27(26)19-12-13-24-25(14-19)38-17-37-24/h4-14,27H,3,15-17H2,1-2H3InChIKey
HHIQCVIFITUVTG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4F)CC5=CC=CC=C5F)C
ETHYL4(13BENZODIOXOL5YL)13BIS((2FLUOROPHENYL)METHYL)6METHYL2OXO4HPYRIMIDINE5CARBOXYLATE
ethyl4(13benzodioxol5yl)13bis(2fluorobenzyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC29H26F2N2O5c133628(34)2618(2)32(15208461022(20)30)29(35)33(16219571123(21)31)27(26)1912132425(1419)38173724h41427H31517H212H3
MFCD07800584
ZINC000012412389
ZINC000012412390
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