Vitas-M small molecule compound
(2Z)-N-(4-bromophenyl)-2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamide
Catalog ID
STK378045
SMILES N#C/C(=C/c1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)/C(=O)Nc1ccc(cc1)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 C25H21BrN4OS MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN4OS/c1-15-11-17(12-18(13-27)24(31)29-20-9-7-19(26)8-10-20)16(2)30(15)25-22(14-28)21-5-3-4-6-23(21)32-25/h7-12H,3-6H2,1-2H3,(H,29,31)/b18-12-InChIKey
XESYGCAAYYKZMX-PDGQHHTCSA-NSynonyms
(2Z)N(4bromophenyl)2cyano3(1(3cyano4567tetrahydro1benzothiophen2yl)25dimethyl1Hpyrrol3yl)prop2enamide
(Z)N(4bromophenyl)2cyano3(1(3cyano4567tetrahydro1benzothiophen2yl)25dimethylpyrrol3yl)prop2enamide
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)Br
InChI=1SC25H21BrN4OSc1151117(1218(1327)24(31)29209719(26)81020)16(2)30(15)2522(1428)21534623(21)3225h712H36H212H3(H2931)b1812
MFCD01824869
N#CC(=Cc1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)C(=O)Nc1ccc(cc1)Br
ZINC000004210429
ZINC04210429
ZINC4210429
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