Vitas-M small molecule compound
methyl 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK986872
SMILES COC(=O)C1=C(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)NC(=O)NC1c1ccc(cc1)C
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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 C26H30N4O5 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O5/c1-17-3-6-19(7-4-17)24-23(25(31)33-2)20(27-26(32)28-24)15-30-11-9-29(10-12-30)14-18-5-8-21-22(13-18)35-16-34-21/h3-8,13,24H,9-12,14-16H2,1-2H3,(H2,27,28,32)InChIKey
XMEWBRPUGHJTCE-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC
InChI=1SC26H30N4O5c1173619(7417)2423(25(31)332)20(2726(32)2824)153011929(101230)1418582122(1318)35163421h381324H9121416H212H3(H2272832)
methyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)4(4methylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18183756
ZINC000051318358
ZINC000051318360
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