Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-chloro-3,5-dinitrophenyl)methanone

Catalog ID
STK980488
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C19H17ClN4O7 MW 448.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O7/c20-18-14(23(26)27)8-13(9-15(18)24(28)29)19(25)22-5-3-21(4-6-22)10-12-1-2-16-17(7-12)31-11-30-16/h1-2,7-9H,3-6,10-11H2
InChIKey
ZQAQPPBLRNEOBK-UHFFFAOYSA-N
Synonyms
349539-72-6
(4(13benzodioxol5ylmethyl)piperazin1yl)(4chloro35dinitrophenyl)methanone
349539726
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C(=C4)(N+)(=O)(O))Cl)(N+)(=O)(O)
InChI=1SC19H17ClN4O7c201814(23(26)27)813(915(18)24(28)29)19(25)225321(4622)1012121617(712)31113016h1279H361011H2
MFCD01921179
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))Cl)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000023379269
ZINC23379269

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Available files

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