Vitas-M small molecule compound
N-(2-cyanoethyl)-N-[(5-{(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)methyl]methanesulfonamide
Catalog ID
STL372397
SMILES N#CCCN(S(=O)(=O)C)Cc1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C20H17FN4O5S2 MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN4O5S2/c1-32(28,29)24(10-2-9-22)12-16-8-7-15(30-16)11-17-18(26)23-20(31)25(19(17)27)14-5-3-13(21)4-6-14/h3-8,11H,2,10,12H2,1H3,(H,23,26,31)/b17-11+InChIKey
DLJDVPLIAFSYKE-GZTJUZNOSA-NSynonyms
CS(=O)(=O)N(CCC#N)CC1=CC=C(O1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F
InChI=1SC20H17FN4O5S2c132(2829)24(102922)12168715(3016)111718(26)2320(31)25(19(17)27)145313(21)4614h3811H21012H21H3(H232631)b1711+
MFCD03214421
N#CCCN(S(=O)(=O)C)Cc1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
N(2cyanoethyl)N((5((E)(1(4fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)furan2yl)methyl)methanesulfonamide
N(2cyanoethyl)N((5((E)(1(4fluorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)methyl)methanesulfonamide
ZINC000096234493
ZINC96234493
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