Vitas-M small molecule compound
N-(3-methyl-1-{[3-(methylsulfanyl)phenyl]amino}-1-oxobutan-2-yl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Catalog ID
STL248342
SMILES CSc1cccc(c1)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 C21H28N6O2S MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O2S/c1-15(2)18(19(28)24-16-6-4-7-17(14-16)30-3)25-21(29)27-12-10-26(11-13-27)20-22-8-5-9-23-20/h4-9,14-15,18H,10-13H2,1-3H3,(H,24,28)(H,25,29)InChIKey
UCAGHLIQEKQZGP-UHFFFAOYSA-NSynonyms
(S)N(3methyl1((3(methylthio)phenyl)amino)1oxobutan2yl)4(pyrimidin2yl)piperazine1carboxamide
CC(C)C(C(=O)NC1=CC(=CC=C1)SC)NC(=O)N2CCN(CC2)C3=NC=CC=N3
CSc1cccc(c1)NC(=O)(C@H)(C(C)C)NC(=O)N1CCN(CC1)c1ncccn1
InChI=1SC21H28N6O2Sc115(2)18(19(28)241664717(1416)303)2521(29)27121026(111327)20228592320h49141518H1013H213H3(H2428)(H2529)
MFCD24861169
N(3methyl1((3(methylsulfanyl)phenyl)amino)1oxobutan2yl)4(pyrimidin2yl)piperazine1carboxamide
N(3methyl1(3methylsulfanylanilino)1oxobutan2yl)4pyrimidin2ylpiperazine1carboxamide
ZINC000072406115
ZINC000080332039
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