Vitas-M small molecule compound
ethyl 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL175739
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cc(CSc3ccc(cc3)Cl)c(cc1C)C)C(=O)CCC2
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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 C27H28ClNO4S MW 498.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO4S/c1-4-32-27(31)25-23(24-21(30)6-5-7-22(24)33-26(25)29)20-13-17(15(2)12-16(20)3)14-34-19-10-8-18(28)9-11-19/h8-13,23H,4-7,14,29H2,1-3H3InChIKey
VAPDKIJRHVFXGZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)CSC4=CC=C(C=C4)Cl)C(=O)CCC2)N
ethyl2amino4(5(((4chlorophenyl)sulfanyl)methyl)24dimethylphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
ethyl2amino4(5((4chlorophenyl)sulfanylmethyl)24dimethylphenyl)5oxo4678tetrahydrochromene3carboxylate
InChI=1SC27H28ClNO4Sc143227(31)2523(2421(30)65722(24)3326(25)29)201317(15(2)1216(20)3)14341910818(28)91119h81323H471429H213H3
MFCD03074652
ZINC000002111669
ZINC000002111670
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Check stock on Vitas-MAvailable files
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