Vitas-M small molecule compound
(5Z)-5-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK072083
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Br)c(c(c2)OC)OCCOc2ccc(c(c2)C)C)/C1=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 C29H27BrN2O7 MW 595.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O7/c1-17-5-8-22(13-18(17)2)38-11-12-39-26-24(30)15-19(16-25(26)37-4)14-23-27(33)31-29(35)32(28(23)34)20-6-9-21(36-3)10-7-20/h5-10,13-16H,11-12H2,1-4H3,(H,31,33,35)/b23-14-InChIKey
XPLLSAYSABHSEG-UCQKPKSFSA-NSynonyms
(5Z)5((3bromo4(2(34dimethylphenoxy)ethoxy)5methoxyphenyl)methylidene)1(4methoxyphenyl)13diazinane246trione
(5Z)5(3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC)OC)C
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Br)c(c(c2)OC)OCCOc2ccc(c(c2)C)C)C1=O
InChI=1SC29H27BrN2O7c1175822(1318(17)2)381112392624(30)1519(1625(26)374)142327(33)3129(35)32(28(23)34)206921(363)10720h5101316H1112H214H3(H313335)b2314
MFCD02017695
STK072083
ZINC000100270769
ZINC100270769
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