Vitas-M small molecule compound

methyl 3-nitro-5-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}benzoate

Catalog ID
STK020564
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)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 C19H18N4O7 MW 414.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O7/c1-30-19(25)14-10-13(11-17(12-14)23(28)29)18(24)21-8-6-20(7-9-21)15-2-4-16(5-3-15)22(26)27/h2-5,10-12H,6-9H2,1H3
InChIKey
CSSHGFGYIUALFZ-UHFFFAOYSA-N
Synonyms
329932-40-3
329932403
3NITRO5(4(4NITROPHENYL)PIPERAZINE1CARBONYL)BENZOICACIDMETHYLESTER
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H18N4O7c13019(25)141013(1117(1214)23(28)29)18(24)218620(7921)152416(5315)22(26)27h251012H69H21H3
METHYL3NITRO5((4(4NITROPHENYL)1PIPERAZINYL)CARBONYL)BENZOATE
METHYL3NITRO5((4(4NITROPHENYL)PIPERAZIN1YL)CARBONYL)BENZOATE
METHYL3NITRO5(4(4NITROPHENYL)PIPERAZINE1CARBONYL)BENZOATE
METHYL5NITRO3((4(4NITROPHENYL)PIPERAZINYL)CARBONYL)BENZOATE
MFCD01197039
STK020564
ZINC000008426435
ZINC08426435
ZINC8426435

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.