Vitas-M small molecule compound
methyl 2-{[(3-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK957909
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)[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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-25-18(22)15-13-8-3-2-4-9-14(13)26-17(15)19-16(21)11-6-5-7-12(10-11)20(23)24/h5-7,10H,2-4,8-9H2,1H3,(H,19,21)InChIKey
LWPMQABWECQVEG-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc2c1CCCCC2
InChI=1SC18H18N2O5Sc12518(22)15138324914(13)2617(15)1916(21)1165712(1011)20(23)24h5710H2489H21H3(H1921)
methyl2(((3nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((3nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01920143
ZINC000000668456
ZINC00668456
ZINC668456
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