Vitas-M small molecule compound
N-{1-[(3-chloro-4-fluorophenyl)amino]-1-oxopropan-2-yl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Catalog ID
STL245611
SMILES O=C(C(NC(=O)N1CCN(CC1)c1ncccn1)C)Nc1ccc(c(c1)Cl)F
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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 C18H20ClFN6O2 MW 406.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClFN6O2/c1-12(16(27)24-13-3-4-15(20)14(19)11-13)23-18(28)26-9-7-25(8-10-26)17-21-5-2-6-22-17/h2-6,11-12H,7-10H2,1H3,(H,23,28)(H,24,27)InChIKey
FIXMVGNGGXVVSL-UHFFFAOYSA-NSynonyms
(S)N(1((3chloro4fluorophenyl)amino)1oxopropan2yl)4(pyrimidin2yl)piperazine1carboxamide
CC(C(=O)NC1=CC(=C(C=C1)F)Cl)NC(=O)N2CCN(CC2)C3=NC=CC=N3
InChI=1SC18H20ClFN6O2c112(16(27)24133415(20)14(19)1113)2318(28)269725(81026)17215262217h261112H710H21H3(H2328)(H2427)
MFCD24860319
N(1((3chloro4fluorophenyl)amino)1oxopropan2yl)4(pyrimidin2yl)piperazine1carboxamide
N(1(3chloro4fluoroanilino)1oxopropan2yl)4pyrimidin2ylpiperazine1carboxamide
O=C((C@@H)(NC(=O)N1CCN(CC1)c1ncccn1)C)Nc1ccc(c(c1)Cl)F
ZINC000072404508
ZINC000080329458
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