Vitas-M small molecule compound
2-{3-[(1,3-diethyl-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
STK190012
SMILES CCN1C(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C(=O)N(C1=S)CC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H26N4O2S2 MW 466.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O2S2/c1-5-26-21(29)18(22(30)27(6-2)24(26)31)12-16-11-14(3)28(15(16)4)23-19(13-25)17-9-7-8-10-20(17)32-23/h11-12H,5-10H2,1-4H3InChIKey
SZWVWHIYBODUMD-UHFFFAOYSA-NSynonyms
443298-13-32(3((13diethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((13diethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((13diethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
443298133
CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)C(=O)N(C1=S)CC
InChI=1SC24H26N4O2S2c152621(29)18(22(30)27(62)24(26)31)12161114(3)28(15(16)4)2319(1325)179781020(17)3223h1112H510H214H3
MFCD03082801
ZINC000000636488
ZINC00636488
ZINC636488
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