Vitas-M small molecule compound

2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-{[(E)-(2-fluorophenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK714524
SMILES O=C(c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccccc1F)NCc1ccc2c(c1)OCO2

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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 C26H19FN6O3 MW 482.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19FN6O3/c27-17-6-2-1-5-16(17)13-30-33-24(28)22(23-25(33)32-19-8-4-3-7-18(19)31-23)26(34)29-12-15-9-10-20-21(11-15)36-14-35-20/h1-11,13H,12,14,28H2,(H,29,34)/b30-13+
InChIKey
OQSRYWMTOPQZSQ-VVEOGCPPSA-N
Synonyms
840472-99-3
(E)2aminoN(benzo(d)(13)dioxol5ylmethyl)1((2fluorobenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoN(13benzodioxol5ylmethyl)1(((E)(2fluorophenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINON(13BENZODIOXOL5YLMETHYL)1((E)(2FLUOROPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
840472993
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)N=CC6=CC=CC=C6F)N
InChI=1SC26H19FN6O3c2717621516(17)13303324(28)22(2325(33)3219843718(19)3123)26(34)2912159102021(1115)36143520h11113H121428H2(H2934)b3013+
MFCD04005575
O=C(c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccccc1F)NCc1ccc2c(c1)OCO2
ZINC000002261520
ZINC2261519

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Available files

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