Vitas-M small molecule compound
2-(3-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK192526
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C26H21FN4O2S2 MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN4O2S2/c1-14-11-16(15(2)30(14)25-19(13-28)17-7-3-6-10-22(17)35-25)12-18-23(32)29-26(34)31(24(18)33)21-9-5-4-8-20(21)27/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,29,32,34)/b18-12+InChIKey
GACPBRFYLUPENN-LDADJPATSA-NSynonyms
(E)2(3((1(2fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
2(3((E)(1(2fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((E)(1(2fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5F
InChI=1SC26H21FN4O2S2c1141116(15(2)30(14)2519(1328)177361022(17)3525)121823(32)2926(34)31(24(18)33)21954820(21)27h45891112H36710H212H3(H293234)b1812+
MFCD02182908
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
ZINC17180443
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