Vitas-M small molecule compound

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

Catalog ID
STK428386
SMILES CCOC(=O)c1c(NC(=O)COc2ccc(cc2C)Cl)sc2c1CCC(C2)C(C)(C)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 C24H30ClNO4S MW 464.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30ClNO4S/c1-6-29-23(28)21-17-9-7-15(24(3,4)5)12-19(17)31-22(21)26-20(27)13-30-18-10-8-16(25)11-14(18)2/h8,10-11,15H,6-7,9,12-13H2,1-5H3,(H,26,27)
InChIKey
UOKNYSLGPVZCEC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)COC3=C(C=C(C=C3)Cl)C
ethyl6tertbutyl2(((4chloro2methylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(4chloro2methylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H30ClNO4Sc162923(28)21179715(24(34)5)1219(17)3122(21)2620(27)13301810816(25)1114(18)2h8101115H6791213H215H3(H2627)
MFCD01350367
ZINC000001944509
ZINC000001944510

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Available files

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