Vitas-M small molecule compound

N'-[(3E)-5-bromo-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-(3,4-dimethoxyphenyl)acetohydrazide

Catalog ID
STK540111
SMILES COc1cc(ccc1OC)CC(=O)N/N=C/1\c2cc(Br)ccc2N(C1=O)CN1CCCCC1c1cccnc1

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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 C29H30BrN5O4 MW 592.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN5O4/c1-38-25-11-8-19(14-26(25)39-2)15-27(36)32-33-28-22-16-21(30)9-10-24(22)35(29(28)37)18-34-13-4-3-7-23(34)20-6-5-12-31-17-20/h5-6,8-12,14,16-17,23H,3-4,7,13,15,18H2,1-2H3,(H,32,36)/b33-28+
InChIKey
HMNJKKUTJHBHJO-PJJLUWSFSA-N
Synonyms

(E)N(5bromo2oxo1((2(pyridin3yl)piperidin1yl)methyl)indolin3ylidene)2(34dimethoxyphenyl)acetohydrazide
COC1=C(C=C(C=C1)CC(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CN4CCCCC4C5=CN=CC=C5)OC
COc1cc(ccc1OC)CC(=O)NN=C1c2cc(Br)ccc2N(C1=O)CN1CCCCC1c1cccnc1
InChI=1SC29H30BrN5O4c1382511819(1426(25)392)1527(36)323328221621(30)91024(22)35(29(28)37)18341343723(34)206512311720h5681214161723H347131518H212H3(H3236)b3328+
MFCD03010827
N((3E)5bromo2oxo1((2(pyridin3yl)piperidin1yl)methyl)12dihydro3Hindol3ylidene)2(34dimethoxyphenyl)acetohydrazide
N((E)(5BROMO2OXO1((2PYRIDIN3YLPIPERIDIN1YL)METHYL)INDOL3YLIDENE)AMINO)2(34DIMETHOXYPHENYL)ACETAMIDE
ZINC000097966555
ZINC000097966556

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.