Vitas-M small molecule compound
2-[(diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl 3-nitrobenzoate
Catalog ID
STK139028
SMILES CCN(Cc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])NC1=NS(=O)(=O)c2c1cccc2)CC
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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 C25H24N4O6S MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6S/c1-3-28(4-2)16-18-14-19(26-24-21-10-5-6-11-23(21)36(33,34)27-24)12-13-22(18)35-25(30)17-8-7-9-20(15-17)29(31)32/h5-15H,3-4,16H2,1-2H3,(H,26,27)InChIKey
LYMPDDGLSQRYQH-UHFFFAOYSA-NSynonyms
(2(DIETHYLAMINOMETHYL)4((11DIOXO12BENZOTHIAZOL3YL)AMINO)PHENYL)3NITROBENZOATE
2((DIETHYLAMINO)METHYL)4((11DIOXIDO12BENZOTHIAZOL3YL)AMINO)PHENYL3NITROBENZOATE
CCN(CC)CC1=C(C=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
CCN(Cc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))NC1=NS(=O)(=O)c2c1cccc2)CC
InChI=1SC25H24N4O6Sc1328(42)16181419(26242110561123(21)36(3334)2724)121322(18)3525(30)1787920(1517)29(31)32h515H3416H212H3(H2627)
MFCD08675643
ZINC000009601125
ZINC9601125
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