Vitas-M small molecule compound

methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK432522
SMILES COC(=O)c1c(sc2c1CCC(C2)C)NC(=O)C1(C)CC1(Cl)Cl

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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 C16H19Cl2NO3S MW 376.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19Cl2NO3S/c1-8-4-5-9-10(6-8)23-12(11(9)13(20)22-3)19-14(21)15(2)7-16(15,17)18/h8H,4-7H2,1-3H3,(H,19,21)
InChIKey
NZGYESYRSKNOIX-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3(CC3(Cl)Cl)C
InChI=1SC16H19Cl2NO3Sc1845910(68)2312(11(9)13(20)223)1914(21)15(2)716(1517)18h8H47H213H3(H1921)
methyl2(((22dichloro1methylcyclopropyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((22dichloro1methylcyclopropanecarbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD02176155
ZINC000002088778
ZINC000004614617

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Available files

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