Vitas-M small molecule compound

2-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK295665
SMILES O=C1N(c2ccc(cc2)c2nc3c([nH]2)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 C27H16N4O5 MW 476.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16N4O5/c32-26-21-14-13-20(36-19-11-9-18(10-12-19)31(34)35)15-22(21)27(33)30(26)17-7-5-16(6-8-17)25-28-23-3-1-2-4-24(23)29-25/h1-15H,(H,28,29)
InChIKey
MWRHFAPXYKTIAR-UHFFFAOYSA-N
Synonyms

2(4(1Hbenzimidazol2yl)phenyl)5(4nitrophenoxy)1Hisoindole13(2H)dione
2(4(1HBENZIMIDAZOL2YL)PHENYL)5(4NITROPHENOXY)ISOINDOLE13DIONE
2(4(1HBENZOIMIDAZOL2YL)PHENYL)5(4NITROPHENOXY)ISOINDOLE13DIONE
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC27H16N4O5c322621141320(361911918(101219)31(34)35)1522(21)27(33)30(26)177516(6817)252823312424(23)2925h115H(H2829)
MFCD00306692
O=C1N(c2ccc(cc2)c2nc3c((nH)2)cccc3)C(=O)c2c1ccc(c2)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000001234096
ZINC01234096
ZINC1234096

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Available files

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