Vitas-M small molecule compound
2-[(5-bromo-4-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK188040
SMILES COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)c(cc1OCc1ccccc1C#N)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 C26H17BrFN3O4S MW 566.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17BrFN3O4S/c1-34-22-11-17(21(27)12-23(22)35-14-16-5-3-2-4-15(16)13-29)10-20-24(32)30-26(36)31(25(20)33)19-8-6-18(28)7-9-19/h2-12H,14H2,1H3,(H,30,32,36)/b20-10-InChIKey
LRQBSYWCJYVIGJ-JMIUGGIZSA-NSynonyms
2((5BROMO4((Z)(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((5BROMO4((Z)(1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)Br)OCC4=CC=CC=C4C#N
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)c(cc1OCc1ccccc1C#N)Br
InChI=1SC26H17BrFN3O4Sc134221117(21(27)1223(22)351416532415(16)1329)102024(32)3026(36)31(25(20)33)198618(28)7919h212H14H21H3(H303236)b2010
MFCD03696574
ZINC000000658567
ZINC00658567
ZINC658567
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