Vitas-M small molecule compound
2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STL382840
SMILES CCOc1cc(ccc1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)C(=S)N1CCCCC1
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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 C22H23N3O7S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O7S/c1-3-31-20-13-15(21(33)23-9-5-4-6-10-23)7-8-19(20)32-22(26)16-11-17(24(27)28)14(2)18(12-16)25(29)30/h7-8,11-13H,3-6,9-10H2,1-2H3InChIKey
GNWCIOGDFYNJEW-UHFFFAOYSA-NSynonyms
(2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
2ethoxy4(piperidin1ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
2ETHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL4METHYL35DINITROBENZOATE
CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=C(C(=C3)(N+)(=O)(O))C)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)C(=S)N1CCCCC1
InChI=1SC22H23N3O7Sc1331201315(21(33)2395461023)7819(20)3222(26)161117(24(27)28)14(2)18(1216)25(29)30h781113H36910H212H3
MFCD01062230
ZINC000006600499
ZINC06600499
ZINC6600499
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