Vitas-M small molecule compound

{1-[(2,4-dihydroxy-6-methylpyrimidin-5-yl)sulfonyl]piperidin-3-yl}(4-phenylpiperazin-1-yl)methanone

Catalog ID
STK651874
SMILES Oc1nc(C)c(c(n1)O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1

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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 C21H27N5O5S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O5S/c1-15-18(19(27)23-21(29)22-15)32(30,31)26-9-5-6-16(14-26)20(28)25-12-10-24(11-13-25)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-14H2,1H3,(H2,22,23,27,29)
InChIKey
IAFMSHPHBDJNKT-UHFFFAOYSA-N
Synonyms
1144444-40-5
(1((24dihydroxy6methylpyrimidin5yl)sulfonyl)piperidin3yl)(4phenylpiperazin1yl)methanone
1144444405
6methyl5(3(4phenylpiperazine1carbonyl)piperidin1yl)sulfonyl1Hpyrimidine24dione
CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC21H27N5O5Sc11518(19(27)2321(29)2215)32(3031)2695616(1426)20(28)25121024(111325)177324817h247816H56914H21H3(H222232729)
MFCD18166129
ZINC000031809543
ZINC000031809548

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Available files

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