Vitas-M small molecule compound
(5E)-1-(4-bromo-2-methylphenyl)-5-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK330904
SMILES COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(cc2C)Br)cc(c1OCc1ccc(cc1Cl)Cl)I
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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 C26H18BrCl2IN2O4S MW 732.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrCl2IN2O4S/c1-13-7-16(27)4-6-21(13)32-25(34)18(24(33)31-26(32)37)8-14-9-20(30)23(22(10-14)35-2)36-12-15-3-5-17(28)11-19(15)29/h3-11H,12H2,1-2H3,(H,31,33,37)/b18-8+InChIKey
AIVIGBCSCRAKQO-QGMBQPNBSA-NSynonyms
(5E)1(4bromo2methylphenyl)5((4((24dichlorophenyl)methoxy)3iodo5methoxyphenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(4bromo2methylphenyl)5(4((24dichlorobenzyl)oxy)3iodo5methoxybenzylidene)2thioxodihydropyrimidine46(1H5H)dione
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=C(C=C(C=C4)Cl)Cl)OC)C(=O)NC2=S
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2C)Br)cc(c1OCc1ccc(cc1Cl)Cl)I
InChI=1SC26H18BrCl2IN2O4Sc113716(27)4621(13)3225(34)18(24(33)3126(32)37)814920(30)23(22(1014)352)3612153517(28)1119(15)29h311H12H212H3(H313337)b188+
MFCD03175625
ZINC000097962644
ZINC97962644
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