Vitas-M small molecule compound

(5Z)-5-{[1-(4-bromonaphthalen-1-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK364830
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c2c1cccc2)Br)C)Cc1ccco1

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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 C26H20BrN3O4 MW 518.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrN3O4/c1-15-12-17(16(2)30(15)23-10-9-22(27)19-7-3-4-8-20(19)23)13-21-24(31)28-26(33)29(25(21)32)14-18-6-5-11-34-18/h3-13H,14H2,1-2H3,(H,28,31,33)/b21-13-
InChIKey
LJQJLNWYBXCGGV-BKUYFWCQSA-N
Synonyms

(5Z)5((1(4BROMONAPHTHALEN1YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)5((1(4BROMONAPHTHALEN1YL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)13DIAZINANE246TRIONE
(E)5((1(4bromonaphthalen1yl)25dimethyl1Hpyrrol3yl)methylene)1(furan2ylmethyl)pyrimidine246(1H3H5H)trione
CC1=CC(=C(N1C2=CC=C(C3=CC=CC=C32)Br)C)C=C4C(=O)NC(=O)N(C4=O)CC5=CC=CO5
InChI=1SC26H20BrN3O4c1151217(16(2)30(15)2310922(27)19734820(19)23)132124(31)2826(33)29(25(21)32)141865113418h313H14H212H3(H283133)b2113
MFCD02196098
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c2c1cccc2)Br)C)Cc1ccco1
ZINC000023382858
ZINC23382858

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Available files

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