Vitas-M small molecule compound

ethyl 2-[(3,5-dibromo-2-hydroxybenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STL024046
SMILES CCOC(=O)c1c(NCc2cc(Br)cc(c2O)Br)sc2c1CCC2

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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 C17H17Br2NO3S MW 475.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17Br2NO3S/c1-2-23-17(22)14-11-4-3-5-13(11)24-16(14)20-8-9-6-10(18)7-12(19)15(9)21/h6-7,20-21H,2-5,8H2,1H3
InChIKey
ZENXYAYYNBYKFK-UHFFFAOYSA-N
Synonyms
380644-29-1
380644291
CCOC(=O)C1=C(SC2=C1CCC2)NCC3=CC(=CC(=C3O)Br)Br
ethyl2((35dibromo2hydroxybenzyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((35DIBROMO2HYDROXYPHENYL)METHYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC17H17Br2NO3Sc122317(22)141143513(11)2416(14)2089610(18)712(19)15(9)21h672021H258H21H3
MFCD02942859
ZINC000001902218
ZINC01902218
ZINC1902218

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Available files

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