Vitas-M small molecule compound

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

Catalog ID
STK990421
SMILES Cc1ccc(cc1)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 C27H19N5O3 MW 461.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O3/c1-16-6-9-18(10-7-16)32-25-23(24-26(32)30-20-5-3-2-4-19(20)29-24)27(33)31(14-28-25)13-17-8-11-21-22(12-17)35-15-34-21/h2-12,14H,13,15H2,1H3
InChIKey
KRTFSMIEWUJRIR-UHFFFAOYSA-N
Synonyms
380593-39-5
3(13benzodioxol5ylmethyl)11(4methylphenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)11(ptolyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
380593395
CC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC7=C(C=C6)OCO7
InChI=1SC27H19N5O3c1166918(10716)322523(2426(32)3020532419(20)2924)27(33)31(142825)13178112122(1217)35153421h21214H1315H21H3
MFCD02990061
ZINC000008871121
ZINC08871121
ZINC8871121

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Available files

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