Vitas-M small molecule compound

(5E)-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL418827
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)OC)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C1=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 C25H18N4O10 MW 534.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O10/c1-37-17-7-4-15(5-8-17)27-24(31)18(23(30)26-25(27)32)11-14-3-9-21(22(12-14)38-2)39-20-10-6-16(28(33)34)13-19(20)29(35)36/h3-13H,1-2H3,(H,26,30,32)/b18-11+
InChIKey
VROIPKQYUBIXON-WOJGMQOQSA-N
Synonyms

(5E)5((4(24DINITROPHENOXY)3METHOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5(4(24dinitrophenoxy)3methoxybenzylidene)1(4methoxyphenyl)pyrimidine246(1H3H5H)trione
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))OC)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)Oc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))C1=O
InChI=1SC25H18N4O10c137177415(5817)2724(31)18(23(30)2625(27)32)11143921(22(1214)382)392010616(28(33)34)1319(20)29(35)36h313H12H3(H263032)b1811+
MFCD04083343
ZINC000101090267
ZINC101090267

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Available files

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