Vitas-M small molecule compound
2-{3-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK027487
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)N(c2ccccc2)C(=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 C32H26N4O2S2 MW 562.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O2S2/c1-20-17-22(21(2)34(20)31-27(19-33)25-15-9-10-16-28(25)40-31)18-26-29(37)35(23-11-5-3-6-12-23)32(39)36(30(26)38)24-13-7-4-8-14-24/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3InChIKey
QMRNBYKQPFBUES-UHFFFAOYSA-NSynonyms
2(3((46dioxo13diphenyl2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((46dioxo13diphenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)N(C(=S)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC32H26N4O2S2c1201722(21(2)34(20)3127(1933)25159101628(25)4031)182629(37)35(23115361223)32(39)36(30(26)38)24137481424h3811141718H9101516H212H3
MFCD02194903
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
STK027487
ZINC000033355547
ZINC33355547
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