Vitas-M small molecule compound
methyl 2-{[(2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK432911
SMILES COC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1[N+](=O)[O-]
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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)15-12-8-3-2-4-10-14(12)26-17(15)19-16(21)11-7-5-6-9-13(11)20(23)24/h5-7,9H,2-4,8,10H2,1H3,(H,19,21)InChIKey
BBRSFLBIRYSPBG-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
COC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC18H18N2O5Sc12518(22)151283241014(12)2617(15)1916(21)11756913(11)20(23)24h579H24810H21H3(H1921)
methyl2(((2nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03362915
ZINC000001111958
ZINC01111958
ZINC1111958
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