Vitas-M small molecule compound

4-amino-N-(3-chloro-4-fluorobenzyl)-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}pyrimidine-5-carboxamide

Catalog ID
STL132351
SMILES O=C(N1CCCC1)CN1CCN(CC1)c1ncc(c(n1)N)C(=O)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 C22H27ClFN7O2 MW 475.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClFN7O2/c23-17-11-15(3-4-18(17)24)12-26-21(33)16-13-27-22(28-20(16)25)31-9-7-29(8-10-31)14-19(32)30-5-1-2-6-30/h3-4,11,13H,1-2,5-10,12,14H2,(H,26,33)(H2,25,27,28)
InChIKey
YGWMZAKOVOVHNQ-UHFFFAOYSA-N
Synonyms

4aminoN((3chloro4fluorophenyl)methyl)2(4(2oxo2pyrrolidin1ylethyl)piperazin1yl)pyrimidine5carboxamide
4aminoN(3chloro4fluorobenzyl)2(4(2oxo2(pyrrolidin1yl)ethyl)piperazin1yl)pyrimidine5carboxamide
C1CCN(C1)C(=O)CN2CCN(CC2)C3=NC=C(C(=N3)N)C(=O)NCC4=CC(=C(C=C4)F)Cl
InChI=1SC22H27ClFN7O2c23171115(3418(17)24)122621(33)16132722(2820(16)25)319729(81031)1419(32)30512630h341113H125101214H2(H2633)(H2252728)
MFCD20752040
ZINC000067336474
ZINC67336474

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Available files

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