Vitas-M small molecule compound

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

Catalog ID
STK990422
SMILES CCc1nc2n(c3ccc(cc3)C)c3c(c2c(=O)n1Cc1ccc2c(c1)OCO2)nc1c(n3)cccc1

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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 C29H23N5O3 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O3/c1-3-24-32-27-25(29(35)33(24)15-18-10-13-22-23(14-18)37-16-36-22)26-28(31-21-7-5-4-6-20(21)30-26)34(27)19-11-8-17(2)9-12-19/h4-14H,3,15-16H2,1-2H3
InChIKey
BOOWGSUSYHOROF-UHFFFAOYSA-N
Synonyms
381695-67-6
3(13benzodioxol5ylmethyl)2ethyl11(4methylphenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)2ethyl11(ptolyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
381695676
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C)C(=O)N1CC6=CC7=C(C=C6)OCO7
InChI=1SC29H23N5O3c1324322725(29(35)33(24)151810132223(1418)37163622)2628(3121754620(21)3026)34(27)1911817(2)91219h414H31516H212H3
MFCD02997230
ZINC000008871122
ZINC08871122
ZINC8871122

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Available files

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