Vitas-M small molecule compound
N-(2-cyanoethyl)-N-[(5-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)methyl]methanesulfonamide
Catalog ID
STL367739
SMILES N#CCCN(S(=O)(=O)C)Cc1ccc(o1)/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 C21H20N4O5S2 MW 472.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S2/c1-14-4-6-15(7-5-14)25-20(27)18(19(26)23-21(25)31)12-16-8-9-17(30-16)13-24(11-3-10-22)32(2,28)29/h4-9,12H,3,11,13H2,1-2H3,(H,23,26,31)/b18-12+InChIKey
IAZDSTFFBWKXFL-LDADJPATSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)CN(CCC#N)S(=O)(=O)C)C(=O)NC2=S
InChI=1SC21H20N4O5S2c1144615(7514)2520(27)18(19(26)2321(25)31)12168917(3016)1324(1131022)32(228)29h4912H31113H212H3(H232631)b1812+
MFCD03083425
N#CCCN(S(=O)(=O)C)Cc1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
N(2CYANOETHYL)N((5((1(4METHYLPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)METHYL)METHANESULFONAMIDE
N(2CYANOETHYL)N((5((E)(1(4METHYLPHENYL)46BIS(OXIDANYLIDENE)2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)METHYL)METHANESULFONAMIDE
N(2CYANOETHYL)N((5((E)(1(4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2FURANYL)METHYL)METHANESULFONAMIDE
N(2CYANOETHYL)N((5((E)(1(4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)METHYL)METHANESULFONAMIDE
N(2cyanoethyl)N((5((E)(1(4methylphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)methyl)methanesulfonamide
N(2CYANOETHYL)N((5((E)(46DIKETO1(PTOLYL)2THIOXOHEXAHYDROPYRIMIDIN5YLIDENE)METHYL)2FURYL)METHYL)METHANESULFONAMIDE
ZINC000002177511
ZINC2177511
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