Vitas-M small molecule compound

methyl 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Catalog ID
STK436550
SMILES COC(=O)c1cc2c(s1)CCC(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 C14H20O2S MW 252.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20O2S/c1-14(2,3)10-5-6-11-9(7-10)8-12(17-11)13(15)16-4/h8,10H,5-7H2,1-4H3
InChIKey
VZMTURSXSFGPGI-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)OC
InChI=1SC14H20O2Sc114(23)1056119(710)812(1711)13(15)164h810H57H214H3
methyl5tertbutyl4567tetrahydro1benzothiophene2carboxylate
MFCD03944582
ZINC000006563404
ZINC000006563418

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Available files

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