Vitas-M small molecule compound
ethyl 1-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]piperidine-4-carboxylate
Catalog ID
STL367736
SMILES CCOC(=O)C1CCN(CC1)/C=C/1\C(=O)NC(=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 C19H21N3O4S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S/c1-2-26-18(25)13-8-10-21(11-9-13)12-15-16(23)20-19(27)22(17(15)24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,20,23,27)/b15-12+InChIKey
FPOHECYVEJFPAD-NTCAYCPXSA-NSynonyms
CCOC(=O)C1CCN(CC1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
CCOC(=O)C1CCN(CC1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3
ethyl1((E)(46dioxo1phenyl2sulfanylidene13diazinan5ylidene)methyl)piperidine4carboxylate
ethyl1((E)(46dioxo1phenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)piperidine4carboxylate
InChI=1SC19H21N3O4Sc122618(25)1381021(11913)121516(23)2019(27)22(17(15)24)146435714h371213H2811H21H3(H202327)b1512+
MFCD28951901
ZINC000096234488
ZINC96234488
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