Vitas-M small molecule compound
ethyl 2-{[(4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK003752
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)[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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-2-25-18(22)15-13-5-3-4-6-14(13)26-17(15)19-16(21)11-7-9-12(10-8-11)20(23)24/h7-10H,2-6H2,1H3,(H,19,21)InChIKey
VMPZXMYCWVMIEL-UHFFFAOYSA-NSynonyms
72625-08-272625082
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((4nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(4nitrobenzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC18H18N2O5Sc122518(22)1513534614(13)2617(15)1916(21)117912(10811)20(23)24h710H26H21H3(H1921)
MFCD00245763
STK003752
ZINC000000855613
ZINC00855613
ZINC855613
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