Vitas-M small molecule compound
2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382835
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])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 C20H19N3O9S MW 477.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O9S/c1-29-16-9-12(19(33)21-5-7-31-8-6-21)10-17(30-2)18(16)32-20(24)14-4-3-13(22(25)26)11-15(14)23(27)28/h3-4,9-11H,5-8H2,1-2H3InChIKey
GFOVSRVLBVKBPY-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)24DINITROBENZOATE
24DINITROBENZOICACID26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
26dimethoxy4(morpholin4ylcarbonothioyl)phenyl24dinitrobenzoate
COC1=CC(=CC(=C1OC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N3CCOCC3
COc1cc(cc(c1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))OC)C(=S)N1CCOCC1
InChI=1SC20H19N3O9Sc12916912(19(33)2157318621)1017(302)18(16)3220(24)144313(22(25)26)1115(14)23(27)28h34911H58H212H3
MFCD01062351
ZINC000006906074
ZINC06906074
ZINC6906074
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