Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-11-(3-fluorophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL235266
SMILES Fc1cccc(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 C26H16FN5O3 MW 465.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16FN5O3/c27-16-4-3-5-17(11-16)32-24-22(23-25(32)30-19-7-2-1-6-18(19)29-23)26(33)31(13-28-24)12-15-8-9-20-21(10-15)35-14-34-20/h1-11,13H,12,14H2InChIKey
JNJWZADKAALSEC-UHFFFAOYSA-NSynonyms
378770-86-63(13benzodioxol5ylmethyl)11(3fluorophenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)11(3fluorophenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
378770866
C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)C5=NC6=CC=CC=C6N=C5N4C7=CC(=CC=C7)F
InChI=1SC26H16FN5O3c271643517(1116)322422(2325(32)3019721618(19)2923)26(33)31(132824)1215892021(1015)35143420h11113H1214H2
MFCD02987030
ZINC000002454133
ZINC02454133
ZINC2454133
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