Vitas-M small molecule compound

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

Catalog ID
STK430461
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)C(c1ccccc1)(c1ccccc1)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 C25H24ClNO3S MW 453.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClNO3S/c1-2-30-23(28)21-19-15-9-10-16-20(19)31-22(21)27-24(29)25(26,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,2,9-10,15-16H2,1H3,(H,27,29)
InChIKey
DWSHAEMZLWBXAS-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)Cl
ethyl2((2chloro22diphenylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((chloro(diphenyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H24ClNO3Sc123023(28)2119159101620(19)3122(21)2724(29)25(2617115361217)18137481418h381114H29101516H21H3(H2729)
MFCD01046875
ZINC000002784790
ZINC02784790
ZINC2784790

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Available files

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