Vitas-M small molecule compound
11-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-hexyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK551444
SMILES CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(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 C28H29N5O3 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3/c1-3-5-6-9-14-32-23(4-2)31-26-24(28(32)34)25-27(30-20-11-8-7-10-19(20)29-25)33(26)16-18-12-13-21-22(15-18)36-17-35-21/h7-8,10-13,15H,3-6,9,14,16-17H2,1-2H3InChIKey
MWWGDWRPZQSKEP-UHFFFAOYSA-NSynonyms
378778-36-011(13benzodioxol5ylmethyl)2ethyl3hexyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)2ethyl3hexyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
378778360
CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)CC
InChI=1SC28H29N5O3c13569143223(42)312624(28(32)34)2527(302011871019(20)2925)33(26)161812132122(1518)36173521h78101315H369141617H212H3
MFCD02987829
ZINC000002234805
ZINC02234805
ZINC2234805
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