Vitas-M small molecule compound

ethyl 1-{4-amino-5-[(4-ethoxybenzyl)carbamoyl]pyrimidin-2-yl}piperidine-4-carboxylate

Catalog ID
STL132432
SMILES CCOC(=O)C1CCN(CC1)c1ncc(c(n1)N)C(=O)NCc1ccc(cc1)OCC

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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 C22H29N5O4 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O4/c1-3-30-17-7-5-15(6-8-17)13-24-20(28)18-14-25-22(26-19(18)23)27-11-9-16(10-12-27)21(29)31-4-2/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,24,28)(H2,23,25,26)
InChIKey
XDADJXSFUWPZJS-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2N)N3CCC(CC3)C(=O)OCC
ethyl1(4amino5((4ethoxybenzyl)carbamoyl)pyrimidin2yl)piperidine4carboxylate
ethyl1(4amino5((4ethoxyphenyl)methylcarbamoyl)pyrimidin2yl)piperidine4carboxylate
InChI=1SC22H29N5O4c1330177515(6817)132420(28)18142522(2619(18)23)2711916(101227)21(29)3142h581416H34913H212H3(H2428)(H2232526)
MFCD20752169
ZINC000067336606
ZINC67336606

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Available files

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