Vitas-M small molecule compound
N-(2-cyanoethyl)-N-({5-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}methyl)methanesulfonamide
Catalog ID
STL367746
SMILES N#CCCN(S(=O)(=O)C)Cc1ccc(o1)C=C1C(=O)N(CC)C(=S)N(C1=O)CC
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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 C18H22N4O5S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S2/c1-4-21-16(23)15(17(24)22(5-2)18(21)28)11-13-7-8-14(27-13)12-20(10-6-9-19)29(3,25)26/h7-8,11H,4-6,10,12H2,1-3H3InChIKey
LKVYUHZNDPFNKH-UHFFFAOYSA-NSynonyms
CCN1C(=O)C(=CC2=CC=C(O2)CN(CCC#N)S(=O)(=O)C)C(=O)N(C1=S)CC
InChI=1SC18H22N4O5S2c142116(23)15(17(24)22(52)18(21)28)11137814(2713)1220(106919)29(325)26h7811H461012H213H3
MFCD03272049
N(2cyanoethyl)N((5((13diethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)furan2yl)methyl)methanesulfonamide
N(2cyanoethyl)N((5((13diethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)methyl)methanesulfonamide
ZINC000096248321
ZINC96248321
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