Vitas-M small molecule compound
ethyl 2-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK090143
SMILES CCOC(=O)c1c(/N=C/c2cc(ccc2Cl)[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 C18H17ClN2O4S MW 392.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O4S/c1-2-25-18(22)16-13-5-3-4-6-15(13)26-17(16)20-10-11-9-12(21(23)24)7-8-14(11)19/h7-10H,2-6H2,1H3/b20-10+InChIKey
OREGEPJHSDJMIN-KEBDBYFISA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl
CCOC(=O)c1c(N=Cc2cc(ccc2Cl)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((E)(2chloro5nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((E)(2chloro5nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H17ClN2O4Sc122518(22)1613534615(13)2617(16)201011912(21(23)24)7814(11)19h710H26H21H3b2010+
MFCD01119979
STK090143
ZINC000000712018
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