Vitas-M small molecule compound
methyl 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-(2-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL027812
SMILES COC(=O)C1=C(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)NC(=O)NC1c1ccccc1Cl
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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 C25H27ClN4O5 MW 498.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN4O5/c1-33-24(31)22-19(27-25(32)28-23(22)17-4-2-3-5-18(17)26)14-30-10-8-29(9-11-30)13-16-6-7-20-21(12-16)35-15-34-20/h2-7,12,23H,8-11,13-15H2,1H3,(H2,27,28,32)InChIKey
JTZCRRUOKPZKCL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC25H27ClN4O5c13324(31)2219(2725(32)2823(22)17423518(17)26)143010829(91130)1316672021(1216)35153420h271223H8111315H21H3(H2272832)
methyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)4(2chlorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)4(2chlorophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18188404
ZINC000067689626
ZINC000067689627
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