Vitas-M small molecule compound
methyl 2-{[(4-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK427720
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCCCCC2
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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/c1-26-19(23)16-14-6-4-2-3-5-7-15(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
KJACKDVNYFILQV-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc2c1CCCCCC2
InChI=1SC19H20N2O5Sc12619(23)161464235715(14)2718(16)2017(22)1281013(11912)21(24)25h811H27H21H3(H2022)
methyl2(((4nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01342255
ZINC000002736928
ZINC02736928
ZINC2736928
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Check stock on Vitas-MAvailable files
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