Vitas-M small molecule compound

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

Catalog ID
STK421842
SMILES CCOC(=O)c1c(NC(=O)c2ccc(o2)C)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 C21H27NO4S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4S/c1-6-25-20(24)17-14-9-8-13(21(3,4)5)11-16(14)27-19(17)22-18(23)15-10-7-12(2)26-15/h7,10,13H,6,8-9,11H2,1-5H3,(H,22,23)
InChIKey
YSHHGCSMDYSSJT-UHFFFAOYSA-N
Synonyms
354546-33-1
354546331
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=C(O3)C
ethyl6tertbutyl2(((5methylfuran2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((5methylfuran2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H27NO4Sc162520(24)17149813(21(34)5)1116(14)2719(17)2218(23)1510712(2)2615h71013H68911H215H3(H2223)
MFCD01337489
ZINC000000649971
ZINC000002092772

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Available files

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