Vitas-M small molecule compound

4-{[(4-bromo-1H-pyrazol-1-yl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide

Catalog ID
STL539409
SMILES O=C(Cn1ncc(c1)Br)Nc1ccc(cc1)C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2

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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 C22H28BrN5O2 MW 474.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28BrN5O2/c23-18-13-25-28(14-18)15-21(29)26-19-8-6-16(7-9-19)22(30)24-12-17-4-3-11-27-10-2-1-5-20(17)27/h6-9,13-14,17,20H,1-5,10-12,15H2,(H,24,30)(H,26,29)/t17-,20+/m0/s1
InChIKey
KPGPFUXIEMQPRN-FXAWDEMLSA-N
Synonyms
1435985-77-5
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)4((2(4bromopyrazol1yl)acetyl)amino)benzamide
1435985775
4(((4bromo1Hpyrazol1yl)acetyl)amino)N((1S9aR)octahydro2Hquinolizin1ylmethyl)benzamide
4(2(4bromo1Hpyrazol1yl)acetamido)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)benzamide
71754552
InChI=1SC22H28BrN5O2c2318132528(1418)1521(29)26198616(7919)22(30)2412174311271021520(17)27h6913141720H15101215H2(H2430)(H2629)t1720+m0s1
O=C(Cn1ncc(c1)Br)Nc1ccc(cc1)C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000085875527
ZINC85875527

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Available files

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