Vitas-M small molecule compound

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide

Catalog ID
STK818697
SMILES N#Cc1c(sc2c1CCCC2)NC(=O)c1oc2c(c1C)cc(c(c2)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 C21H20N2O2S MW 364.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O2S/c1-11-8-15-13(3)19(25-17(15)9-12(11)2)20(24)23-21-16(10-22)14-6-4-5-7-18(14)26-21/h8-9H,4-7H2,1-3H3,(H,23,24)
InChIKey
MBDPKQNMGCVCGC-UHFFFAOYSA-N
Synonyms
622349-52-4
622349524
CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C)C
InChI=1SC21H20N2O2Sc11181513(3)19(2517(15)912(11)2)20(24)232116(1022)14645718(14)2621h89H47H213H3(H2324)
MFCD04448001
N(3cyano4567tetrahydro1benzothiophen2yl)356trimethyl1benzofuran2carboxamide
ZINC000001129365
ZINC01129365
ZINC1129365

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Available files

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