Vitas-M small molecule compound

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

Catalog ID
STK427743
SMILES COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)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 C18H17Cl2NO3S MW 398.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2NO3S/c1-24-18(23)15-11-5-3-2-4-6-14(11)25-17(15)21-16(22)12-9-10(19)7-8-13(12)20/h7-9H,2-6H2,1H3,(H,21,22)
InChIKey
XBUOQBMZJIBPIY-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=CC(=C3)Cl)Cl
InChI=1SC18H17Cl2NO3Sc12418(23)15115324614(11)2517(15)2116(22)12910(19)7813(12)20h79H26H21H3(H2122)
methyl2(((25dichlorophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((25dichlorobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01341015
ZINC000002082057
ZINC02082057
ZINC2082057

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Available files

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