Vitas-M small molecule compound

ethyl 6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL028090
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)OC)NC(=O)NC1c1cccs1

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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 C23H28N4O4S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O4S/c1-3-31-22(28)20-18(24-23(29)25-21(20)19-5-4-14-32-19)15-26-10-12-27(13-11-26)16-6-8-17(30-2)9-7-16/h4-9,14,21H,3,10-13,15H2,1-2H3,(H2,24,25,29)
InChIKey
LFCQMCQFZNJXPY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN3CCN(CC3)C4=CC=C(C=C4)OC
ethyl6((4(4methoxyphenyl)piperazin1yl)methyl)2oxo4(thiophen2yl)1234tetrahydropyrimidine5carboxylate
ethyl6((4(4methoxyphenyl)piperazin1yl)methyl)2oxo4thiophen2yl34dihydro1Hpyrimidine5carboxylate
InChI=1SC23H28N4O4Sc133122(28)2018(2423(29)2521(20)1954143219)1526101227(131126)166817(302)9716h491421H3101315H212H3(H2242529)
MFCD14915010
ZINC000020559134
ZINC000020559136

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.