Vitas-M small molecule compound
N-(2-cyanoethyl)-N-[(5-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)methyl]methanesulfonamide
Catalog ID
STL367745
SMILES N#CCCN(S(=O)(=O)C)Cc1ccc(o1)/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 C22H22N4O6S2 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6S2/c1-3-31-16-7-5-15(6-8-16)26-21(28)19(20(27)24-22(26)33)13-17-9-10-18(32-17)14-25(12-4-11-23)34(2,29)30/h5-10,13H,3-4,12,14H2,1-2H3,(H,24,27,33)/b19-13+InChIKey
IRVCWHPYPQCVOZ-CPNJWEJPSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)CN(CCC#N)S(=O)(=O)C)C(=O)NC2=S
InChI=1SC22H22N4O6S2c1331167515(6816)2621(28)19(20(27)2422(26)33)131791018(3217)1425(1241123)34(229)30h51013H341214H212H3(H242733)b1913+
MFCD03083427
N#CCCN(S(=O)(=O)C)Cc1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)OCC
N(2CYANOETHYL)N((5((1(4ETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)METHYL)METHANESULFONAMIDE
N(2CYANOETHYL)N((5((E)(1(4ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)METHYL)METHANESULFONAMIDE
N(2cyanoethyl)N((5((E)(1(4ethoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)methyl)methanesulfonamide
ZINC000002177519
ZINC02177519
ZINC2177519
Check stock
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Check stock on Vitas-MAvailable files
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