Vitas-M small molecule compound

11-(1,3-benzodioxol-5-yl)-3-(4-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK990382
SMILES Clc1ccc(cc1)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc2c(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 C26H16ClN5O3 MW 481.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16ClN5O3/c27-16-7-5-15(6-8-16)12-31-13-28-24-22(26(31)33)23-25(30-19-4-2-1-3-18(19)29-23)32(24)17-9-10-20-21(11-17)35-14-34-20/h1-11,13H,12,14H2
InChIKey
WQHIGIPUHSIBQY-UHFFFAOYSA-N
Synonyms
836632-38-3
11(13benzodioxol5yl)3(4chlorobenzyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5yl)3(4chlorobenzyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836632383
C1OC2=C(O1)C=C(C=C2)N3C4=C(C5=NC6=CC=CC=C6N=C53)C(=O)N(C=N4)CC7=CC=C(C=C7)Cl
InChI=1SC26H16ClN5O3c27167515(6816)123113282422(26(31)33)2325(3019421318(19)2923)32(24)179102021(1117)35143420h11113H1214H2
MFCD03689133
ZINC000008871106
ZINC08871106
ZINC8871106

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Available files

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