Vitas-M small molecule compound
ethyl 4-{[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}furan-2-yl)carbonyl]amino}benzoate
Catalog ID
STL312863
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(o1)CSc1nc(C)cc(n1)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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-4-27-20(26)15-5-7-16(8-6-15)24-19(25)18-10-9-17(28-18)12-29-21-22-13(2)11-14(3)23-21/h5-11H,4,12H2,1-3H3,(H,24,25)InChIKey
STPHKPDWDSQEFI-UHFFFAOYSA-NSynonyms
1401543-10-91401543109
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)C)C
ethyl4(((5(((46dimethylpyrimidin2yl)sulfanyl)methyl)furan2yl)carbonyl)amino)benzoate
ethyl4((5((46dimethylpyrimidin2yl)sulfanylmethyl)furan2carbonyl)amino)benzoate
ethyl4(5(((46dimethylpyrimidin2yl)thio)methyl)furan2carboxamido)benzoate
InChI=1SC21H21N3O4Sc142720(26)155716(8615)2419(25)1810917(2818)1229212213(2)1114(3)2321h511H412H213H3(H2425)
MFCD22585565
ZINC000079493788
ZINC79493788
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