Vitas-M small molecule compound
2-(2,5-dimethyl-3-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)-4-methyl-5-propylthiophene-3-carbonitrile
Catalog ID
STL368177
SMILES CCCc1sc(c(c1C)C#N)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)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 C27H26N4O2S2 MW 502.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S2/c1-6-7-23-17(4)22(14-28)26(35-23)30-16(3)12-19(18(30)5)13-21-24(32)29-27(34)31(25(21)33)20-10-8-15(2)9-11-20/h8-13H,6-7H2,1-5H3,(H,29,32,34)/b21-13+InChIKey
XHFDFJYQVYGPDE-FYJGNVAPSA-NSynonyms
2(25DIMETHYL3((1(4METHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)1HPYRROL1YL)4METHYL5PROPYL3THIOPHENECARBONITRILE
2(25DIMETHYL3((E)(1(4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)4METHYL5PROPYLTHIOPHENE3CARBONITRILE
2(25dimethyl3((E)(1(4methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)4methyl5propylthiophene3carbonitrile
CCCC1=C(C(=C(S1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)C)C)C#N)C
CCCc1sc(c(c1C)C#N)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
InChI=1SC27H26N4O2S2c1672317(4)22(1428)26(3523)3016(3)1219(18(30)5)132124(32)2927(34)31(25(21)33)2010815(2)91120h813H67H215H3(H293234)b2113+
MFCD03865777
ZINC000000638250
ZINC00638250
ZINC638250
Check stock
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