Vitas-M small molecule compound
2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK295792
SMILES O=C1N(c2cccc(c2)c2nc3c(o2)cccc3)C(=O)c2c1ccc(c2)Oc1ccc(cc1)[N+](=O)[O-]
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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 C27H15N3O6 MW 477.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H15N3O6/c31-26-21-13-12-20(35-19-10-8-17(9-11-19)30(33)34)15-22(21)27(32)29(26)18-5-3-4-16(14-18)25-28-23-6-1-2-7-24(23)36-25/h1-15HInChIKey
KULAYMXVKYSWGI-UHFFFAOYSA-NSynonyms
2(3(13benzoxazol2yl)phenyl)5(4nitrophenoxy)1Hisoindole13(2H)dione
2(3(13BENZOXAZOL2YL)PHENYL)5(4NITROPHENOXY)ISOINDOLE13DIONE
C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC27H15N3O6c312621131220(351910817(91119)30(33)34)1522(21)27(32)29(26)1853416(1418)252823612724(23)3625h115H
MFCD01078578
O=C1N(c2cccc(c2)c2nc3c(o2)cccc3)C(=O)c2c1ccc(c2)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000000655461
ZINC00655461
ZINC655461
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