Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-{3-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK064005
SMILES CCOc1cc(ccc1OCc1cccc(c1)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)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 C27H23BrN2O4S MW 551.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O4S/c1-3-33-24-14-18(10-11-23(24)34-16-19-7-4-6-17(2)12-19)13-22-25(31)29-27(35)30(26(22)32)21-9-5-8-20(28)15-21/h4-15H,3,16H2,1-2H3,(H,29,31,35)/b22-13+InChIKey
WKVDYIVQEJZHSU-LPYMAVHISA-NSynonyms
(5E)1(3BROMOPHENYL)5((3ETHOXY4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3BROMOPHENYL)5(3ETHOXY4((3METHYLBENZYL)OXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
1(3BROMOPHENYL)5(3ETHOXY4((3METHYLBENZYL)OXY)BENZYLIDENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)OCC4=CC=CC(=C4)C
CCOc1cc(ccc1OCc1cccc(c1)C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
InChI=1SC27H23BrN2O4Sc1333241418(101123(24)34161974617(2)1219)132225(31)2927(35)30(26(22)32)2195820(28)1521h415H316H212H3(H293135)b2213+
MFCD02044603
STK064005
ZINC000002063503
ZINC02063503
ZINC2063503
Check stock
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Check stock on Vitas-MAvailable files
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