Vitas-M small molecule compound
ethyl 1-{(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}piperidine-4-carboxylate
Catalog ID
STL372431
SMILES CCOC(=O)C1CCN(CC1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)OCC
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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 C21H25N3O5S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S/c1-3-28-16-7-5-15(6-8-16)24-19(26)17(18(25)22-21(24)30)13-23-11-9-14(10-12-23)20(27)29-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,25,30)/b17-13-InChIKey
FIQSRIVGVPCQGO-LGMDPLHJSA-NSynonyms
CCOC(=O)C1CCN(CC1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)OCC
CCOC1=CC=C(C=C1)N2C(=O)C(=CN3CCC(CC3)C(=O)OCC)C(=O)NC2=S
ETHYL1((Z)(1(4ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PIPERIDINE4CARBOXYLATE
ethyl1((Z)(1(4ethoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)piperidine4carboxylate
InChI=1SC21H25N3O5Sc1328167515(6816)2419(26)17(18(25)2221(24)30)132311914(101223)20(27)2942h581314H34912H212H3(H222530)b1713
MFCD03712134
ZINC000016212447
ZINC16212447
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