Vitas-M small molecule compound

2-amino-N-(4-fluorobenzyl)-1-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STL226087
SMILES COc1cc(/C=N/n2c3nc4ccccc4nc3c(c2N)C(=O)NCc2ccc(cc2)F)cc(c1OC)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 C28H25FN6O4 MW 528.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN6O4/c1-37-21-12-17(13-22(38-2)25(21)39-3)15-32-35-26(30)23(28(36)31-14-16-8-10-18(29)11-9-16)24-27(35)34-20-7-5-4-6-19(20)33-24/h4-13,15H,14,30H2,1-3H3,(H,31,36)/b32-15+
InChIKey
VLWYIVWPZIBSLX-VWJSQJICSA-N
Synonyms
836651-55-9
(E)2aminoN(4fluorobenzyl)1((345trimethoxybenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINON((4FLUOROPHENYL)METHYL)1((E)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
2aminoN(4fluorobenzyl)1(((E)(345trimethoxyphenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
836651559
COC1=CC(=CC(=C1OC)OC)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)F)N
COc1cc(C=Nn2c3nc4ccccc4nc3c(c2N)C(=O)NCc2ccc(cc2)F)cc(c1OC)OC
InChI=1SC28H25FN6O4c137211217(1322(382)25(21)393)15323526(30)23(28(36)31141681018(29)11916)2427(35)3420754619(20)3324h41315H1430H213H3(H3136)b3215+
MFCD03692345
ZINC000002253991
ZINC2253990

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Available files

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