Vitas-M small molecule compound

methyl 2-{[(2-iodophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK316581
SMILES COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1ccccc1I

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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 C19H20INO3S MW 469.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20INO3S/c1-24-19(23)16-13-9-4-2-3-5-11-15(13)25-18(16)21-17(22)12-8-6-7-10-14(12)20/h6-8,10H,2-5,9,11H2,1H3,(H,21,22)
InChIKey
CMGUIUKQSLXVSL-UHFFFAOYSA-N
Synonyms
514856-94-1
514856941
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=CC=C3I
InChI=1SC19H20INO3Sc12419(23)1613942351115(13)2518(16)2117(22)128671014(12)20h6810H25911H21H3(H2122)
methyl2(((2iodophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2iodobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03758003
ZINC000002091486
ZINC02091486
ZINC2091486

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.