Vitas-M small molecule compound

6-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dien-1-yl]-5-nitropyrimidine-2,4(1H,3H)-dione

Catalog ID
STL376326
SMILES C/C(=C\c1ccccc1)/C=C/c1[nH]c(=O)[nH]c(=O)c1[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 C15H13N3O4 MW 299.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4/c1-10(9-11-5-3-2-4-6-11)7-8-12-13(18(21)22)14(19)17-15(20)16-12/h2-9H,1H3,(H2,16,17,19,20)/b8-7+,10-9+
InChIKey
HYUVHTILEKQBPA-XBLVEGMJSA-N
Synonyms

6((1E3E)3methyl4phenylbuta13dien1yl)5nitropyrimidine24(1H3H)dione
6((1E3E)3methyl4phenylbuta13dienyl)5nitro1Hpyrimidine24dione
CC(=CC1=CC=CC=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O)
CC(=Cc1ccccc1)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
InChI=1SC15H13N3O4c110(9115324611)781213(18(21)22)14(19)1715(20)1612h29H1H3(H216171920)b87+109+
MFCD04389931
ZINC000006303359
ZINC6303359

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Available files

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