Vitas-M small molecule compound
2-methoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STK758249
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-26-18-13-14(19(28)21-10-3-2-4-11-21)8-9-17(18)27-20(23)15-6-5-7-16(12-15)22(24)25/h5-9,12-13H,2-4,10-11H2,1H3InChIKey
HTJBSMRDFHZBSM-UHFFFAOYSA-NSynonyms
(2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)3NITROBENZOATE
2methoxy4(piperidin1ylcarbonothioyl)phenyl3nitrobenzoate
2METHOXY4(PIPERIDYLTHIOXOMETHYL)PHENYL3NITROBENZOATE
3NITROBENZOICACID2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C(=S)N1CCCCC1
InChI=1SC20H20N2O5Sc126181314(19(28)21103241121)8917(18)2720(23)1565716(1215)22(24)25h591213H241011H21H3
MFCD01062207
ZINC000000866281
ZINC00866281
ZINC866281
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