Vitas-M small molecule compound

methyl 4-[(E)-{[2-amino-3-(cyclopentylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]imino}methyl]benzoate

Catalog ID
STK920770
SMILES COC(=O)c1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c(c1N)C(=O)NC1CCCC1

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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 C25H24N6O3 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6O3/c1-34-25(33)16-12-10-15(11-13-16)14-27-31-22(26)20(24(32)28-17-6-2-3-7-17)21-23(31)30-19-9-5-4-8-18(19)29-21/h4-5,8-14,17H,2-3,6-7,26H2,1H3,(H,28,32)/b27-14+
InChIKey
YMQZCMOCPKJJAC-MZJWZYIUSA-N
Synonyms
840514-14-9
(E)methyl4(((2amino3(cyclopentylcarbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
840514149
COC(=O)C1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5CCCC5)N
COC(=O)c1ccc(cc1)C=Nn1c2nc3ccccc3nc2c(c1N)C(=O)NC1CCCC1
InChI=1SC25H24N6O3c13425(33)16121015(111316)14273122(26)20(24(32)2817623717)2123(31)3019954818(19)2921h4581417H236726H21H3(H2832)b2714+
methyl4((E)((2amino3(cyclopentylcarbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
METHYL4((E)(2AMINO3(CYCLOPENTYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)IMINOMETHYL)BENZOATE
MFCD04009994
ZINC000002193727
ZINC2193725

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Available files

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