Vitas-M small molecule compound
2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STL383956
SMILES COc1cc(cc(c1OC(=O)c1cccc(c1)[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 C20H20N2O7S MW 432.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O7S/c1-26-16-11-14(19(30)21-6-8-28-9-7-21)12-17(27-2)18(16)29-20(23)13-4-3-5-15(10-13)22(24)25/h3-5,10-12H,6-9H2,1-2H3InChIKey
BWFWIQADQNCFBQ-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)3NITROBENZOATE
26dimethoxy4(morpholin4ylcarbonothioyl)phenyl3nitrobenzoate
3NITROBENZOICACID26DIMETHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
COC1=CC(=CC(=C1OC(=O)C2=CC(=CC=C2)(N+)(=O)(O))OC)C(=S)N3CCOCC3
COc1cc(cc(c1OC(=O)c1cccc(c1)(N+)(=O)(O))OC)C(=S)N1CCOCC1
InChI=1SC20H20N2O7Sc126161114(19(30)2168289721)1217(272)18(16)2920(23)1343515(1013)22(24)25h351012H69H212H3
MFCD01062349
ZINC000000866273
ZINC00866273
ZINC866273
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