Vitas-M small molecule compound
2-methoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate
Catalog ID
STL384007
SMILES COc1cc(ccc1OC(=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/c1-28-17-10-12(18(31)20-4-6-29-7-5-20)2-3-16(17)30-19(23)13-8-14(21(24)25)11-15(9-13)22(26)27/h2-3,8-11H,4-7H2,1H3InChIKey
ZSXVCAIRBVEXGR-UHFFFAOYSA-NSynonyms
(2METHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)35DINITROBENZOATE
2methoxy4(morpholin4ylcarbonothioyl)phenyl35dinitrobenzoate
2METHOXY4(MORPHOLIN4YLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
35DINITROBENZOICACID2METHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))C(=S)N1CCOCC1
InChI=1SC19H17N3O8Sc128171012(18(31)2046297520)2316(17)3019(23)13814(21(24)25)1115(913)22(26)27h23811H47H21H3
MFCD01062369
ZINC000006906785
ZINC06906785
ZINC6906785
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