Vitas-M small molecule compound

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

Catalog ID
STK424927
SMILES CCOC(=O)c1c(NC(=O)c2cc(OC)cc(c2)OC)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 C24H31NO5S MW 445.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5S/c1-7-30-23(27)20-18-9-8-15(24(2,3)4)12-19(18)31-22(20)25-21(26)14-10-16(28-5)13-17(11-14)29-6/h10-11,13,15H,7-9,12H2,1-6H3,(H,25,26)
InChIKey
CBYPGKHQGWIAAD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=CC(=C3)OC)OC
ethyl6tertbutyl2(((35dimethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((35dimethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H31NO5Sc173023(27)20189815(24(23)4)1219(18)3122(20)2521(26)141016(285)1317(1114)296h10111315H7912H216H3(H2526)
MFCD01921712
ZINC000000671911
ZINC000000671913

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Available files

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