Vitas-M small molecule compound

ethyl 2-{[(4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK082186
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCCCC2

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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 C19H20N2O5S MW 388.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5S/c1-2-26-19(23)16-14-6-4-3-5-7-15(14)27-18(16)20-17(22)12-8-10-13(11-9-12)21(24)25/h8-11H,2-7H2,1H3,(H,20,22)
InChIKey
ZXWCYIOENOXSIM-UHFFFAOYSA-N
Synonyms
331819-60-4
331819604
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc2c1CCCCC2
ethyl2(((4nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((4nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(4nitrobenzamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC19H20N2O5Sc122619(23)16146435715(14)2718(16)2017(22)1281013(11912)21(24)25h811H27H21H3(H2022)
MFCD00782618
STK082186
ZINC000000861829
ZINC00861829
ZINC861829

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Available files

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