Vitas-M small molecule compound

methyl 4-[2-amino-3-(propylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoate

Catalog ID
STK990285
SMILES CCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C(=O)OC

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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 C22H21N5O3 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c1-3-12-24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)14-10-8-13(9-11-14)22(29)30-2/h4-11H,3,12,23H2,1-2H3,(H,24,28)
InChIKey
KQYYEBHAEUCXNY-UHFFFAOYSA-N
Synonyms
840480-54-8
840480548
CCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OC)N
InChI=1SC22H21N5O3c13122421(28)171820(2616754615(16)2518)27(19(17)23)1410813(91114)22(29)302h411H31223H212H3(H2428)
methyl4(2amino3(propylcarbamoyl)1Hpyrrolo(23b)quinoxalin1yl)benzoate
METHYL4(2AMINO3(PROPYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)BENZOATE
MFCD04006843
ZINC000002264049
ZINC02264049
ZINC2264049

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Available files

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