Vitas-M small molecule compound

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

Catalog ID
STK021613
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1[nH]c2c(n1)cccc2)Oc1cccc(c1)[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/c32-26-21-13-12-20(36-19-5-3-4-18(14-19)31(34)35)15-22(21)27(33)30(26)17-10-8-16(9-11-17)25-28-23-6-1-2-7-24(23)29-25/h1-15H,(H,28,29)
InChIKey
UODUDFGKGWUBEL-UHFFFAOYSA-N
Synonyms

2(4(1HBENZIMIDAZOL2YL)PHENYL)5(3NITROPHENOXY)1HISOINDOLE13(2H)DIONE
2(4(1HBENZIMIDAZOL2YL)PHENYL)5(3NITROPHENOXY)ISOINDOLE13DIONE
2(4(1HBENZOIMIDAZOL2YL)PHENYL)5(3NITROPHENOXY)ISOINDOLE13DIONE
2(4BENZIMIDAZOL2YLPHENYL)5(3NITROPHENOXY)BENZO(C)AZOLINE13DIONE
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC(=C6)(N+)(=O)(O)
InChI=1SC27H16N4O5c322621131220(361953418(1419)31(34)35)1522(21)27(33)30(26)1710816(91117)252823612724(23)2925h115H(H2829)
MFCD00306690
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1(nH)c2c(n1)cccc2)Oc1cccc(c1)(N+)(=O)(O)
STK021613
ZINC000001234094
ZINC01234094
ZINC1234094

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Available files

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