Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-11-(3-methoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK920317
SMILES COc1cccc(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 C27H19N5O4 MW 477.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N5O4/c1-34-18-6-4-5-17(12-18)32-25-23(24-26(32)30-20-8-3-2-7-19(20)29-24)27(33)31(14-28-25)13-16-9-10-21-22(11-16)36-15-35-21/h2-12,14H,13,15H2,1H3InChIKey
AVERSQURBJFWIN-UHFFFAOYSA-NSynonyms
381184-16-33(13benzodioxol5ylmethyl)11(3methoxyphenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)11(3methoxyphenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
381184163
COC1=CC=CC(=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC7=C(C=C6)OCO7
InChI=1SC27H19N5O4c1341864517(1218)322523(2426(32)3020832719(20)2924)27(33)31(142825)13169102122(1116)36153521h21214H1315H21H3
MFCD02993134
ZINC000002400356
ZINC02400356
ZINC2400356
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