Vitas-M small molecule compound

2-methoxyethyl 2-[(biphenyl-4-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK448787
SMILES COCCOC(=O)c1c(NC(=O)c2ccc(cc2)c2ccccc2)sc2c1CCCC2

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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 C25H25NO4S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4S/c1-29-15-16-30-25(28)22-20-9-5-6-10-21(20)31-24(22)26-23(27)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,26,27)
InChIKey
XUNCTFLUFMCYTN-UHFFFAOYSA-N
Synonyms

2methoxyethyl2((4phenylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
2methoxyethyl2((biphenyl4ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
COCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI=1SC25H25NO4Sc12915163025(28)22209561021(20)3124(22)2623(27)19131118(121419)177324817h24781114H569101516H21H3(H2627)
MFCD02606262
ZINC000002091250
ZINC02091250
ZINC2091250

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Available files

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