Vitas-M small molecule compound
2-methoxy-5-(piperidin-1-ylcarbonothioyl)phenyl 3,5-dinitrobenzoate
Catalog ID
STL382818
SMILES COc1ccc(cc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])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 C20H19N3O7S MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O7S/c1-29-17-6-5-13(19(31)21-7-3-2-4-8-21)11-18(17)30-20(24)14-9-15(22(25)26)12-16(10-14)23(27)28/h5-6,9-12H,2-4,7-8H2,1H3InChIKey
JCWWBYSMNKPTIK-UHFFFAOYSA-NSynonyms
(2METHOXY5(PIPERIDINE1CARBOTHIOYL)PHENYL)35DINITROBENZOATE
2methoxy5(piperidin1ylcarbonothioyl)phenyl35dinitrobenzoate
2METHOXY5(PIPERIDYLTHIOXOMETHYL)PHENYL35DINITROBENZOATE
35DINITROBENZOICACID2METHOXY5(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
COC1=C(C=C(C=C1)C(=S)N2CCCCC2)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)N1CCCCC1
InChI=1SC20H19N3O7Sc129176513(19(31)217324821)1118(17)3020(24)14915(22(25)26)1216(1014)23(27)28h56912H2478H21H3
MFCD01062248
ZINC000013590263
ZINC13590263
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