Vitas-M small molecule compound

propan-2-yl 2-{[(4-tert-butylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK421255
SMILES CC(OC(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c1CCCC2)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 C23H29NO3S MW 399.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO3S/c1-14(2)27-22(26)19-17-8-6-7-9-18(17)28-21(19)24-20(25)15-10-12-16(13-11-15)23(3,4)5/h10-14H,6-9H2,1-5H3,(H,24,25)
InChIKey
JUOYTMWSXGXZGM-UHFFFAOYSA-N
Synonyms
362602-84-4
362602844
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC23H29NO3Sc114(2)2722(26)1917867918(17)2821(19)2420(25)15101216(131115)23(34)5h1014H69H215H3(H2425)
MFCD01328201
propan2yl2(((4tertbutylphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((4tertbutylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002790616
ZINC02790616
ZINC2790616

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Available files

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