Vitas-M small molecule compound

3-[(3-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

Catalog ID
STK307090
SMILES N#Cc1c(NC(=O)c2cccc(c2)COc2cccc(c2)Br)sc2c1CCCC2

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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 C23H19BrN2O2S MW 467.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN2O2S/c24-17-7-4-8-18(12-17)28-14-15-5-3-6-16(11-15)22(27)26-23-20(13-25)19-9-1-2-10-21(19)29-23/h3-8,11-12H,1-2,9-10,14H2,(H,26,27)
InChIKey
ZGRQNQRWFDNZEN-UHFFFAOYSA-N
Synonyms
828287-90-7
3((3bromophenoxy)methyl)N(3cyano4567tetrahydro1benzothiophen2yl)benzamide
828287907
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)COC4=CC(=CC=C4)Br)C#N
InChI=1SC23H19BrN2O2Sc241774818(1217)28141553616(1115)22(27)262320(1325)199121021(19)2923h381112H1291014H2(H2627)
MFCD04130450
ZINC000002792626
ZINC02792626
ZINC2792626

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Available files

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