Vitas-M small molecule compound
4-amino-N-(3-chloro-4-fluorobenzyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
Catalog ID
STL132348
SMILES O=C(c1cnc(nc1N)N1CCN(CC1)c1ccccc1F)NCc1ccc(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 C22H21ClF2N6O MW 458.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClF2N6O/c23-16-11-14(5-6-17(16)24)12-27-21(32)15-13-28-22(29-20(15)26)31-9-7-30(8-10-31)19-4-2-1-3-18(19)25/h1-6,11,13H,7-10,12H2,(H,27,32)(H2,26,28,29)InChIKey
VYAAABXHYPBXLJ-UHFFFAOYSA-NSynonyms
4aminoN((3chloro4fluorophenyl)methyl)2(4(2fluorophenyl)piperazin1yl)pyrimidine5carboxamide
4aminoN(3chloro4fluorobenzyl)2(4(2fluorophenyl)piperazin1yl)pyrimidine5carboxamide
C1CN(CCN1C2=CC=CC=C2F)C3=NC=C(C(=N3)N)C(=O)NCC4=CC(=C(C=C4)F)Cl
InChI=1SC22H21ClF2N6Oc23161114(5617(16)24)122721(32)15132822(2920(15)26)319730(81031)19421318(19)25h161113H71012H2(H2732)(H2262829)
MFCD20752032
ZINC000067336471
ZINC67336471
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