Vitas-M small molecule compound
8-(benzyloxy)-1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
Catalog ID
STK784449
SMILES CC1Oc2c3C1=Cc1ccc(cc1Oc3cc(c2)[N+](=O)[O-])OCc1ccccc1
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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 C23H17NO5 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17NO5/c1-14-19-9-16-7-8-18(27-13-15-5-3-2-4-6-15)12-20(16)29-22-11-17(24(25)26)10-21(28-14)23(19)22/h2-12,14H,13H2,1H3InChIKey
ODTXRUBNFOBZJY-UHFFFAOYSA-NSynonyms
8(benzyloxy)1methyl4nitro1Hbenzo(b)furo(432ef)(1)benzoxepine
CC1C2=CC3=C(C=C(C=C3)OCC4=CC=CC=C4)OC5=C2C(=CC(=C5)(N+)(=O)(O))O1
CC1Oc2c3C1=Cc1ccc(cc1Oc3cc(c2)(N+)(=O)(O))OCc1ccccc1
InChI=1SC23H17NO5c114199167818(2713155324615)1220(16)29221117(24(25)26)1021(2814)23(19)22h21214H13H21H3
MFCD07022299
ZINC000004770044
ZINC000004770046
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