Vitas-M small molecule compound

tert-butyl 4-{4-amino-5-[(3-methylphenyl)sulfonyl]pyrimidin-2-yl}piperazine-1-carboxylate

Catalog ID
STL167589
SMILES Cc1cccc(c1)S(=O)(=O)c1cnc(nc1N)N1CCN(CC1)C(=O)OC(C)(C)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 C20H27N5O4S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O4S/c1-14-6-5-7-15(12-14)30(27,28)16-13-22-18(23-17(16)21)24-8-10-25(11-9-24)19(26)29-20(2,3)4/h5-7,12-13H,8-11H2,1-4H3,(H2,21,22,23)
InChIKey
ODIGFHGFTNDAQG-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)S(=O)(=O)C2=CN=C(N=C2N)N3CCN(CC3)C(=O)OC(C)(C)C
InChI=1SC20H27N5O4Sc11465715(1214)30(2728)16132218(2317(16)21)2481025(11924)19(26)2920(23)4h571213H811H214H3(H2212223)
MFCD20751978
tertbutyl4(4amino5((3methylphenyl)sulfonyl)pyrimidin2yl)piperazine1carboxylate
tertbutyl4(4amino5(3methylphenyl)sulfonylpyrimidin2yl)piperazine1carboxylate
ZINC000071772154
ZINC71772154

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Available files

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