Vitas-M small molecule compound

3,6,6-trimethyl-4-oxo-N-[2-(thiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide

Catalog ID
STK626856
SMILES O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)NCCc1cccs1

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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 C18H21NO3S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO3S/c1-11-15-13(20)9-18(2,3)10-14(15)22-16(11)17(21)19-7-6-12-5-4-8-23-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,19,21)
InChIKey
WCVVHUPYRLDAGI-UHFFFAOYSA-N
Synonyms
912908-88-4
366trimethyl4oxoN(2(thiophen2yl)ethyl)4567tetrahydro1benzofuran2carboxamide
366trimethyl4oxoN(2(thiophen2yl)ethyl)4567tetrahydrobenzofuran2carboxamide
366trimethyl4oxoN(2thiophen2ylethyl)57dihydro1benzofuran2carboxamide
912908884
CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NCCC3=CC=CS3
InChI=1SC18H21NO3Sc1111513(20)918(23)1014(15)2216(11)17(21)1976125482312h458H67910H213H3(H1921)
MFCD09796406
ZINC000009576850
ZINC09576850
ZINC9576850

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Available files

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