Vitas-M small molecule compound
2-(3-{(E)-[1-(2,4-dimethylphenyl)-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
STK188206
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C
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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 C28H26N4O2S2 MW 514.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2S2/c1-15-9-10-23(16(2)11-15)32-26(34)21(25(33)30-28(32)35)13-19-12-17(3)31(18(19)4)27-22(14-29)20-7-5-6-8-24(20)36-27/h9-13H,5-8H2,1-4H3,(H,30,33,35)/b21-13+InChIKey
ZFTKLQRTMYAROC-FYJGNVAPSA-NSynonyms
(E)2(3((1(24dimethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
2(3((E)(1(24dimethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((E)(1(24dimethylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C5=C(S4)CCCC5)C#N)C)C(=O)NC2=S)C
InChI=1SC28H26N4O2S2c11591023(16(2)1115)3226(34)21(25(33)3028(32)35)13191217(3)31(18(19)4)2722(1429)20756824(20)3627h913H58H214H3(H303335)b2113+
MFCD02241329
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C
ZINC9067167
Check stock
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Check stock on Vitas-MAvailable files
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