Vitas-M small molecule compound
2-({2-bromo-4-[(Z)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STK187917
SMILES N#Cc1ccccc1COc1ccc(cc1Br)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C25H16BrN3O3S MW 518.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrN3O3S/c26-21-13-16(10-11-22(21)32-15-18-7-5-4-6-17(18)14-27)12-20-23(30)28-25(33)29(24(20)31)19-8-2-1-3-9-19/h1-13H,15H2,(H,28,30,33)/b20-12-InChIKey
JNFLVTXECGIXMC-NDENLUEZSA-NSynonyms
2((2bromo4((Z)(46dioxo1phenyl2sulfanylidene13diazinan5ylidene)methyl)phenoxy)methyl)benzonitrile
2((2BROMO4((Z)(46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Br)C(=O)NC2=S
InChI=1SC25H16BrN3O3Sc26211316(101122(21)321518754617(18)1427)122023(30)2825(33)29(24(20)31)198213919h113H15H2(H283033)b2012
MFCD02628907
N#Cc1ccccc1COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
ZINC000097960890
ZINC97960890
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