Vitas-M small molecule compound
(5Z)-5-{3-bromo-5-methoxy-4-[3-(4-methylphenoxy)propoxy]benzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK011237
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCCOc1ccc(cc1)C)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 C28H24BrClN2O6 MW 599.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24BrClN2O6/c1-17-4-10-21(11-5-17)37-12-3-13-38-25-23(29)15-18(16-24(25)36-2)14-22-26(33)31-28(35)32(27(22)34)20-8-6-19(30)7-9-20/h4-11,14-16H,3,12-13H2,1-2H3,(H,31,33,35)/b22-14-InChIKey
SIXGQYZVPJYTCF-HMAPJEAMSA-NSynonyms
(5Z)5((3bromo5methoxy4(3(4methylphenoxy)propoxy)phenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(3BROMO5METHOXY4(3(4METHYLPHENOXY)PROPOXY)BENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2Br)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)OC
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCCOc1ccc(cc1)C)Br
InChI=1SC28H24BrClN2O6c11741021(11517)3712313382523(29)1518(1624(25)362)142226(33)3128(35)32(27(22)34)208619(30)7920h4111416H31213H212H3(H313335)b2214
MFCD05976010
STK011237
ZINC000097957869
ZINC97957869
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