Vitas-M small molecule compound
11-(1,3-benzodioxol-5-yl)-3-(4-methylbenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL225832
SMILES Cc1ccc(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 C27H19N5O3 MW 461.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O3/c1-16-6-8-17(9-7-16)13-31-14-28-25-23(27(31)33)24-26(30-20-5-3-2-4-19(20)29-24)32(25)18-10-11-21-22(12-18)35-15-34-21/h2-12,14H,13,15H2,1H3InChIKey
XCMRCZXMTQPRMP-UHFFFAOYSA-NSynonyms
836641-56-611(13benzodioxol5yl)3(4methylbenzyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5yl)3(4methylbenzyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836641566
CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC7=C(C=C6)OCO7
InChI=1SC27H19N5O3c1166817(9716)133114282523(27(31)33)2426(3020532419(20)2924)32(25)1810112122(1218)35153421h21214H1315H21H3
MFCD03690777
ZINC000002251851
ZINC02251851
ZINC2251851
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