Vitas-M small molecule compound

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

Catalog ID
STK042090
SMILES O=C(c1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)c1[nH]c2c(n1)cccc2

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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 C28H16N4O5 MW 488.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H16N4O5/c33-25(17-4-3-5-20(14-17)32(36)37)18-10-13-21-22(15-18)28(35)31(27(21)34)19-11-8-16(9-12-19)26-29-23-6-1-2-7-24(23)30-26/h1-15H,(H,29,30)
InChIKey
ZSYAVBHIMLYGDP-UHFFFAOYSA-N
Synonyms

2(4(1HBENZIMIDAZOL2YL)PHENYL)5((3NITROPHENYL)CARBONYL)1HISOINDOLE13(2H)DIONE
2(4(1HBENZIMIDAZOL2YL)PHENYL)5(3NITROBENZOYL)ISOINDOLE13DIONE
2(4(1HBENZOIMIDAZOL2YL)PHENYL)5(3NITROBENZOYL)ISOINDOLE13DIONE
2(4BENZIMIDAZOL2YLPHENYL)5((3NITROPHENYL)CARBONYL)BENZO(C)AZOLINE13DIONE
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC28H16N4O5c3325(1743520(1417)32(36)37)1810132122(1518)28(35)31(27(21)34)1911816(91219)262923612724(23)3026h115H(H2930)
MFCD00564826
O=C(c1cccc(c1)(N+)(=O)(O))c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)c1(nH)c2c(n1)cccc2
STK042090
ZINC000006446919
ZINC06446919
ZINC6446919

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Available files

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