Vitas-M small molecule compound
ethyl 2-{[(4-chloro-6-phenoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-4-nitrobenzoate
Catalog ID
STK366497
SMILES CCOC(=O)c1ccc(cc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)Oc1ccccc1)[N+](=O)[O-]
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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 C20H16ClN5O8S MW 521.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O8S/c1-2-33-18(27)14-9-8-12(26(29)30)10-15(14)35(31,32)25-20(28)24-19-22-16(21)11-17(23-19)34-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,22,23,24,25,28)InChIKey
MLTDWFCUUZXLBJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=C(C=C1)(N+)(=O)(O))S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC3=CC=CC=C3
CCOC(=O)c1ccc(cc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)Oc1ccccc1)(N+)(=O)(O)
ETHYL2((((4CHLORO6PHENOXYPYRIMIDIN2YL)AMINO)CARBONYLAMINO)SULFONYL)4NITROBENZOATE
ethyl2(((4chloro6phenoxypyrimidin2yl)carbamoyl)sulfamoyl)4nitrobenzoate
ETHYL2((4CHLORO6PHENOXYPYRIMIDIN2YL)CARBAMOYLSULFAMOYL)4NITROBENZOATE
InChI=1SC20H16ClN5O8Sc123318(27)149812(26(29)30)1015(14)35(3132)2520(28)24192216(21)1117(2319)34136435713h311H2H21H3(H22223242528)
MFCD00327447
ZINC000004015289
ZINC4015289
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