Vitas-M small molecule compound

ethyl 2-{[chloro(diphenyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK430456
SMILES CCOC(=O)c1c(NC(=O)C(c2ccccc2)(c2ccccc2)Cl)sc2c1CCC(C2)C

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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 C26H26ClNO3S MW 468.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO3S/c1-3-31-24(29)22-20-15-14-17(2)16-21(20)32-23(22)28-25(30)26(27,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17H,3,14-16H2,1-2H3,(H,28,30)
InChIKey
FCGOYSFSPYCQCQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)Cl
ethyl2((2chloro22diphenylacetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((chloro(diphenyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H26ClNO3Sc133124(29)2220151417(2)1621(20)3223(22)2825(30)26(2718106471118)19128591319h41317H31416H212H3(H2830)
MFCD03465509
ZINC000002736049
ZINC000002736050

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Available files

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