Vitas-M small molecule compound

5-{2-[(2,2-dimethoxyethyl)(methyl)amino]-5-nitrobenzylidene}-1-(4-methylpentyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK579313
SMILES COC(CN(c1ccc(cc1/C=C\1/C(=O)NC(=O)N(C1=O)CCCC(C)C)[N+](=O)[O-])C)OC

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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 C22H30N4O7 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O7/c1-14(2)7-6-10-25-21(28)17(20(27)23-22(25)29)12-15-11-16(26(30)31)8-9-18(15)24(3)13-19(32-4)33-5/h8-9,11-12,14,19H,6-7,10,13H2,1-5H3,(H,23,27,29)/b17-12-
InChIKey
ZSGXUPLRFBNJPR-ATVHPVEESA-N
Synonyms
892636-22-5
(5Z)5((2(22dimethoxyethyl(methyl)amino)5nitrophenyl)methylidene)1(4methylpentyl)13diazinane246trione
(Z)5(2((22dimethoxyethyl)(methyl)amino)5nitrobenzylidene)1(4methylpentyl)pyrimidine246(1H3H5H)trione
5(2((22dimethoxyethyl)(methyl)amino)5nitrobenzylidene)1(4methylpentyl)pyrimidine246(1H3H5H)trione
892636225
CC(C)CCCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))N(C)CC(OC)OC)C(=O)NC1=O
COC(CN(c1ccc(cc1C=C1C(=O)NC(=O)N(C1=O)CCCC(C)C)(N+)(=O)(O))C)OC
InChI=1SC22H30N4O7c114(2)76102521(28)17(20(27)2322(25)29)12151116(26(30)31)8918(15)24(3)1319(324)335h8911121419H671013H215H3(H232729)b1712
MFCD07640106
ZINC000013591482
ZINC13591482

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Available files

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