Vitas-M small molecule compound
N-{1-[(3-chloro-4-methoxyphenyl)amino]-3-methyl-1-oxobutan-2-yl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Catalog ID
STL249171
SMILES COc1ccc(cc1Cl)NC(=O)C(C(C)C)NC(=O)N1CCN(CC1)c1ncccn1
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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 C21H27ClN6O3 MW 446.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O3/c1-14(2)18(19(29)25-15-5-6-17(31-3)16(22)13-15)26-21(30)28-11-9-27(10-12-28)20-23-7-4-8-24-20/h4-8,13-14,18H,9-12H2,1-3H3,(H,25,29)(H,26,30)InChIKey
LXNMOJGVFOAEKK-UHFFFAOYSA-NSynonyms
(S)N(1((3chloro4methoxyphenyl)amino)3methyl1oxobutan2yl)4(pyrimidin2yl)piperazine1carboxamide
CC(C)C(C(=O)NC1=CC(=C(C=C1)OC)Cl)NC(=O)N2CCN(CC2)C3=NC=CC=N3
COc1ccc(cc1Cl)NC(=O)(C@H)(C(C)C)NC(=O)N1CCN(CC1)c1ncccn1
InChI=1SC21H27ClN6O3c114(2)18(19(29)25155617(313)16(22)1315)2621(30)2811927(101228)20237482420h48131418H912H213H3(H2529)(H2630)
MFCD24861448
N(1((3chloro4methoxyphenyl)amino)3methyl1oxobutan2yl)4(pyrimidin2yl)piperazine1carboxamide
N(1(3chloro4methoxyanilino)3methyl1oxobutan2yl)4pyrimidin2ylpiperazine1carboxamide
ZINC000072403605
ZINC000080332864
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