Vitas-M small molecule compound
2-(3-{(E)-[1-(3,4-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-5-propylthiophene-3-carbonitrile
Catalog ID
STL367389
SMILES CCCc1sc(c(c1C)C#N)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)Cl
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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 C26H22Cl2N4O2S2 MW 557.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N4O2S2/c1-5-6-22-14(3)19(12-29)25(36-22)31-13(2)9-16(15(31)4)10-18-23(33)30-26(35)32(24(18)34)17-7-8-20(27)21(28)11-17/h7-11H,5-6H2,1-4H3,(H,30,33,35)/b18-10+InChIKey
BIOKXSMWQVWHGY-VCHYOVAHSA-NSynonyms
2(3((1(34DICHLOROPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)4METHYL5PROPYL3THIOPHENECARBONITRILE
2(3((E)(1(34DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)4METHYL5PROPYLTHIOPHENE3CARBONITRILE
2(3((E)(1(34dichlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4methyl5propylthiophene3carbonitrile
CCCC1=C(C(=C(S1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C)C#N)C
CCCc1sc(c(c1C)C#N)n1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)Cl
InChI=1SC26H22Cl2N4O2S2c1562214(3)19(1229)25(3622)3113(2)916(15(31)4)101823(33)3026(35)32(24(18)34)177820(27)21(28)1117h711H56H214H3(H303335)b1810+
MFCD03865778
ZINC000002179301
ZINC02179301
ZINC2179301
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