Vitas-M small molecule compound
2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STK757009
SMILES COc1cc(cc(c1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)OC)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 C21H21N3O9S MW 491.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O9S/c1-12-15(23(26)27)8-14(9-16(12)24(28)29)21(25)33-19-17(30-2)10-13(11-18(19)31-3)20(34)22-4-6-32-7-5-22/h8-11H,4-7H2,1-3H3InChIKey
AYMMYZDHJQLGIS-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)4METHYL35DINITROBENZOATE
(26DIMETHOXY4MORPHOLIN4YLCARBOTHIOYLPHENYL)4METHYL35DINITROBENZOATE
26DIMETHOXY4(4MORPHOLINYLCARBOTHIOYL)PHENYL35BISNITRO4METHYLBENZOATE
26dimethoxy4(morpholin4ylcarbonothioyl)phenyl4methyl35dinitrobenzoate
4METHYL35DINITROBENZOICACID(26DIMETHOXY4(4MORPHOLINYL(SULFANYLIDENE)METHYL)PHENYL)ESTER
4METHYL35DINITROBENZOICACID(26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)ESTER
4METHYL35DINITROBENZOICACID26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC)(N+)(=O)(O)
COc1cc(cc(c1OC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)OC)C(=S)N1CCOCC1
InChI=1SC21H21N3O9Sc11215(23(26)27)814(916(12)24(28)29)21(25)331917(302)1013(1118(19)313)20(34)2246327522h811H47H213H3
MFCD01062353
ZINC000002188427
ZINC02188427
ZINC2188427
Check stock
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Check stock on Vitas-MAvailable files
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