Vitas-M small molecule compound
ethyl 2-({[5-nitro-2-(piperidin-1-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK763128
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCCCC2)[N+](=O)[O-])sc2c1CCCC2
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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 C23H27N3O5S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5S/c1-2-31-23(28)20-16-8-4-5-9-19(16)32-22(20)24-21(27)17-14-15(26(29)30)10-11-18(17)25-12-6-3-7-13-25/h10-11,14H,2-9,12-13H2,1H3,(H,24,27)InChIKey
KZBJECUMTUFBKR-UHFFFAOYSA-NSynonyms
5930-62-15930621
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))N4CCCCC4
CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCCCC2)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((5nitro2(piperidin1yl)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((5nitro2piperidin1ylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(5nitro2(piperidin1yl)benzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC23H27N3O5Sc123123(28)2016845919(16)3222(20)2421(27)171415(26(29)30)101118(17)25126371325h101114H291213H21H3(H2427)
MFCD01829875
ZINC000008856814
ZINC08856814
ZINC8856814
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