Vitas-M small molecule compound
(5Z)-1-(4-bromophenyl)-5-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK030675
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl
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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 C30H28BrClN2O6 MW 627.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28BrClN2O6/c1-30(2,3)19-5-11-22(12-6-19)39-13-14-40-26-24(32)16-18(17-25(26)38-4)15-23-27(35)33-29(37)34(28(23)36)21-9-7-20(31)8-10-21/h5-12,15-17H,13-14H2,1-4H3,(H,33,35,37)/b23-15-InChIKey
BHADBTUTFWTYTJ-HAHDFKILSA-NSynonyms
(5Z)1(4bromophenyl)5((4(2(4tertbutylphenoxy)ethoxy)3chloro5methoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4BROMOPHENYL)5(4(2(4TERTBUTYLPHENOXY)ETHOXY)3CHLORO5METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)OC
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl
InChI=1SC30H28BrClN2O6c130(23)1951122(12619)391314402624(32)1618(1725(26)384)152327(35)3329(37)34(28(23)36)219720(31)81021h5121517H1314H214H3(H333537)b2315
MFCD05976127
STK030675
ZINC000097958153
ZINC97958153
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