Vitas-M small molecule compound
2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate
Catalog ID
STL384008
SMILES COc1ccc(cc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=S)N1CCOCC1
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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 C19H17N3O8S MW 447.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O8S/c1-28-16-3-2-12(18(31)20-4-6-29-7-5-20)10-17(16)30-19(23)13-8-14(21(24)25)11-15(9-13)22(26)27/h2-3,8-11H,4-7H2,1H3InChIKey
IVECFLZDTQCHPR-UHFFFAOYSA-NSynonyms
(2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL)35DINITROBENZOATE
2methoxy5(morpholin4ylcarbonothioyl)phenyl35dinitrobenzoate
2METHOXY5(MORPHOLIN4YLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
35DINITROBENZOICACID2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))C(=S)N1CCOCC1
InChI=1SC19H17N3O8Sc128163212(18(31)2046297520)1017(16)3019(23)13814(21(24)25)1115(913)22(26)27h23811H47H21H3
MFCD01062405
ZINC000008989849
ZINC08989849
ZINC8989849
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