Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-[3-ethoxy-4-(1-phenylethoxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK066690
SMILES CCOc1cc(ccc1OC(c1ccccc1)C)/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 C27H23BrN2O5 MW 535.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O5/c1-3-34-24-16-18(9-14-23(24)35-17(2)19-7-5-4-6-8-19)15-22-25(31)29-27(33)30(26(22)32)21-12-10-20(28)11-13-21/h4-17H,3H2,1-2H3,(H,29,31,33)/b22-15-InChIKey
PADGUMSMXKZGKQ-JCMHNJIXSA-NSynonyms
(5Z)1(4bromophenyl)5((3ethoxy4(1phenylethoxy)phenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(3ETHOXY4(1PHENYLETHOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OC(C)C4=CC=CC=C4
CCOc1cc(ccc1OC(c1ccccc1)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC27H23BrN2O5c1334241618(91423(24)3517(2)197546819)152225(31)2927(33)30(26(22)32)21121020(28)111321h417H3H212H3(H293133)b2215
MFCD05976188
STK066690
ZINC000097958870
ZINC000097958871
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