Vitas-M small molecule compound

2-[3-(1H-imidazol-1-yl)propyl]-5-[(3-nitrophenyl)carbonyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK223415
SMILES O=C1c2cc(ccc2C(=O)N1CCCn1cncc1)C(=O)c1cccc(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 C21H16N4O5 MW 404.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O5/c26-19(14-3-1-4-16(11-14)25(29)30)15-5-6-17-18(12-15)21(28)24(20(17)27)9-2-8-23-10-7-22-13-23/h1,3-7,10-13H,2,8-9H2
InChIKey
VFOXPKNYVQFNAY-UHFFFAOYSA-N
Synonyms
305358-23-0
2(3(1Himidazol1yl)propyl)5((3nitrophenyl)carbonyl)1Hisoindole13(2H)dione
2(3(1Himidazol1yl)propyl)5(3nitrobenzoyl)isoindoline13dione
2(3IMIDAZOL1YLPROPYL)5(3NITROBENZOYL)ISOINDOLE13DIONE
305358230
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCN4C=CN=C4
InChI=1SC21H16N4O5c2619(1431416(1114)25(29)30)15561718(1215)21(28)24(20(17)27)92823107221323h1371013H289H2
MFCD02189443
O=C1c2cc(ccc2C(=O)N1CCCn1cncc1)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000013618471
ZINC13618471

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Available files

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