Vitas-M small molecule compound

(5E)-1-(4-bromophenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK176477
SMILES COc1ccc(cc1[N+](=O)[O-])/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br

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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 C18H12BrN3O6 MW 446.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrN3O6/c1-28-15-7-2-10(9-14(15)22(26)27)8-13-16(23)20-18(25)21(17(13)24)12-5-3-11(19)4-6-12/h2-9H,1H3,(H,20,23,25)/b13-8+
InChIKey
OCMYXTBWHAVSJQ-MDWZMJQESA-N
Synonyms

(5E)1(4BROMOPHENYL)5((4METHOXY3NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4BROMOPHENYL)5(4METHOXY3NITROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC18H12BrN3O6c128157210(914(15)22(26)27)81316(23)2018(25)21(17(13)24)125311(19)4612h29H1H3(H202325)b138+
MFCD01788912
ZINC000001203694
ZINC1203694

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Available files

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