Vitas-M small molecule compound

5-{3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK084374
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])C=C1C(=O)N(C)C(=O)N(C1=O)C

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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 C23H23N3O8 MW 469.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O8/c1-4-32-20-14-15(13-18-21(27)24(2)23(29)25(3)22(18)28)5-10-19(20)34-12-11-33-17-8-6-16(7-9-17)26(30)31/h5-10,13-14H,4,11-12H2,1-3H3
InChIKey
ANEANTYYTKRWTH-UHFFFAOYSA-N
Synonyms

5((3ETHOXY4(2(4NITROPHENOXY)ETHOXY)PHENYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5(3ETHOXY4(2(4NITROPHENOXY)ETHOXY)BENZYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C)OCCOC3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(ccc1OCCOc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC23H23N3O8c1432201415(131821(27)24(2)23(29)25(3)22(18)28)51019(20)34121133178616(7917)26(30)31h5101314H41112H213H3
MFCD01873419
STK084374
ZINC000013893699
ZINC13893699

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Available files

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