Vitas-M small molecule compound
(5Z)-5-{3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK091871
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1ccccc1C)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 C27H22Cl2N2O6 MW 541.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl2N2O6/c1-16-5-3-4-6-22(16)36-11-12-37-24-21(29)14-17(15-23(24)35-2)13-20-25(32)30-27(34)31(26(20)33)19-9-7-18(28)8-10-19/h3-10,13-15H,11-12H2,1-2H3,(H,30,32,34)/b20-13-InChIKey
WFXCRGCLCNUHEV-MOSHPQCFSA-NSynonyms
(5Z)5((3chloro5methoxy4(2(2methylphenoxy)ethoxy)phenyl)methylidene)1(4chlorophenyl)13diazinane246trione
(5Z)5(3CHLORO5METHOXY4(2(2METHYLPHENOXY)ETHOXY)BENZYLIDENE)1(4CHLOROPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC=CC=C1OCCOC2=C(C=C(C=C2Cl)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(c1OCCOc1ccccc1C)Cl
InChI=1SC27H22Cl2N2O6c116534622(16)361112372421(29)1417(1523(24)352)132025(32)3027(34)31(26(20)33)199718(28)81019h3101315H1112H212H3(H303234)b2013
MFCD05975990
STK091871
ZINC000097959214
ZINC97959214
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