Vitas-M small molecule compound
2-methoxy-5-(morpholin-4-ylcarbonothioyl)phenyl 4-nitrobenzoate
Catalog ID
STL383901
SMILES COc1ccc(cc1OC(=O)c1ccc(cc1)[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 C19H18N2O6S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6S/c1-25-16-7-4-14(18(28)20-8-10-26-11-9-20)12-17(16)27-19(22)13-2-5-15(6-3-13)21(23)24/h2-7,12H,8-11H2,1H3InChIKey
YMBOIIARBNPBDJ-UHFFFAOYSA-NSynonyms
(2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYL)4NITROBENZOATE
2methoxy5(morpholin4ylcarbonothioyl)phenyl4nitrobenzoate
4NITROBENZOICACID2METHOXY5(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C(=S)N1CCOCC1
InChI=1SC19H18N2O6Sc125167414(18(28)208102611920)1217(16)2719(22)132515(6313)21(23)24h2712H811H21H3
MFCD01062403
ZINC000000866308
ZINC00866308
ZINC866308
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