Vitas-M small molecule compound

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

Catalog ID
STK550012
SMILES Cc1cc(C)cc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc2c(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 C28H21N5O3 MW 475.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O3/c1-16-9-17(2)11-19(10-16)33-26-24(25-27(33)31-21-6-4-3-5-20(21)30-25)28(34)32(14-29-26)13-18-7-8-22-23(12-18)36-15-35-22/h3-12,14H,13,15H2,1-2H3
InChIKey
JQKNLHPNVUPCSI-UHFFFAOYSA-N
Synonyms
378221-59-1
3(13benzodioxol5ylmethyl)11(35dimethylphenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)11(35dimethylphenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
378221591
CC1=CC(=CC(=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC7=C(C=C6)OCO7)C
InChI=1SC28H21N5O3c116917(2)1119(1016)332624(2527(33)3121643520(21)3025)28(34)32(142926)1318782223(1218)36153522h31214H1315H212H3
MFCD02985716
ZINC000008741454
ZINC08741454
ZINC8741454

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Available files

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