Vitas-M small molecule compound
2-[(4-chloro-2-nitrophenyl)amino]-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK123945
SMILES O=C(CSc1nc(C)cc(n1)C)OCC(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
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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 C16H15ClN4O5S MW 410.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4O5S/c1-9-5-10(2)19-16(18-9)27-8-15(23)26-7-14(22)20-12-4-3-11(17)6-13(12)21(24)25/h3-6H,7-8H2,1-2H3,(H,20,22)InChIKey
XEFMUWQTWWETFR-UHFFFAOYSA-NSynonyms
332172-97-1(2(4CHLORO2NITROANILINO)2OXOETHYL)2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETATE
2((4CHLORO2NITROPHENYL)AMINO)2OXOETHYL((46DIMETHYLPYRIMIDIN2YL)SULFANYL)ACETATE
2(4CHLORO2NITROANILINO)2OXOETHYL((46DIMETHYL2PYRIMIDINYL)SULFANYL)ACETATE
332172971
CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)(N+)(=O)(O))C
InChI=1SC16H15ClN4O5Sc19510(2)1916(189)27815(23)26714(22)20124311(17)613(12)21(24)25h36H78H212H3(H2022)
MFCD01240612
O=C(CSc1nc(C)cc(n1)C)OCC(=O)Nc1ccc(cc1(N+)(=O)(O))Cl
ZINC000004565052
ZINC04565052
ZINC4565052
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