Vitas-M small molecule compound

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

Catalog ID
STK307004
SMILES N#Cc1c(NC(=O)c2ccc(c(c2)OC)OC(F)F)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 C22H24F2N2O3S MW 434.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F2N2O3S/c1-22(2,3)13-6-7-14-15(11-25)20(30-18(14)10-13)26-19(27)12-5-8-16(29-21(23)24)17(9-12)28-4/h5,8-9,13,21H,6-7,10H2,1-4H3,(H,26,27)
InChIKey
YDOQOOZSHDYPDV-UHFFFAOYSA-N
Synonyms
828287-15-6
828287156
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC
InChI=1SC22H24F2N2O3Sc122(23)13671415(1125)20(3018(14)1013)2619(27)125816(2921(23)24)17(912)284h5891321H6710H214H3(H2627)
MFCD04047725
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)4(difluoromethoxy)3methoxybenzamide
ZINC000002792429
ZINC000002792430

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Available files

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