Vitas-M small molecule compound

2-{1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene}-1H-indene-1,3(2H)-dione

Catalog ID
STK047005
SMILES C/C(=C/1\C(=O)c2c(C1=O)cccc2)/N1CCN(CC1)c1ccc(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 C21H19N3O4 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4/c1-14(19-20(25)17-4-2-3-5-18(17)21(19)26)22-10-12-23(13-11-22)15-6-8-16(9-7-15)24(27)28/h2-9H,10-13H2,1H3
InChIKey
FNIRMOZQRJAJFJ-UHFFFAOYSA-N
Synonyms
5669-13-6
2(1(4(4NITROPHENYL)PIPERAZIN1YL)ETHYLIDENE)1HINDENE13(2H)DIONE
2(1(4(4NITROPHENYL)PIPERAZIN1YL)ETHYLIDENE)INDENE13DIONE
5669136
CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O)
CC(=C1C(=O)c2c(C1=O)cccc2)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H19N3O4c114(1920(25)17423518(17)21(19)26)22101223(131122)156816(9715)24(27)28h29H1013H21H3
MFCD01417167
STK047005
ZINC000004793220
ZINC04793220
ZINC4793220

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Available files

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