Vitas-M small molecule compound

1H-indol-3-yl{4-[(3-nitrophenyl)carbonyl]piperazin-1-yl}methanone

Catalog ID
STK718283
SMILES O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1c[nH]c2c1cccc2

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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 C20H18N4O4 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4/c25-19(14-4-3-5-15(12-14)24(27)28)22-8-10-23(11-9-22)20(26)17-13-21-18-7-2-1-6-16(17)18/h1-7,12-13,21H,8-11H2
InChIKey
YQHGRAPHTZRFDO-UHFFFAOYSA-N
Synonyms
929851-93-4
(4(1Hindole3carbonyl)piperazin1yl)(3nitrophenyl)methanone
1Hindol3yl(4((3nitrophenyl)carbonyl)piperazin1yl)methanone
929851934
C1CN(CCN1C(=O)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)C3=CNC4=CC=CC=C43
InChI=1SC20H18N4O4c2519(1443515(1214)24(27)28)2281023(11922)20(26)17132118721616(17)18h17121321H811H2
MFCD09796814
O=C(c1cccc(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1c(nH)c2c1cccc2
ZINC000009575250
ZINC09575250
ZINC9575250

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Available files

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