Vitas-M small molecule compound

4-[(4-chlorobenzyl)oxy]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxybenzamide

Catalog ID
STK029704
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)C(=O)Nc1sc2c(c1C#N)CCCC2

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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 C24H21ClN2O3S MW 452.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O3S/c1-29-21-12-16(8-11-20(21)30-14-15-6-9-17(25)10-7-15)23(28)27-24-19(13-26)18-4-2-3-5-22(18)31-24/h6-12H,2-5,14H2,1H3,(H,27,28)
InChIKey
IGNQNKUZJNCCKI-UHFFFAOYSA-N
Synonyms
462601-99-6
4((4chlorobenzyl)oxy)N(3cyano4567tetrahydro1benzothiophen2yl)3methoxybenzamide
4((4chlorobenzyl)oxy)N(3cyano4567tetrahydrobenzo(b)thiophen2yl)3methoxybenzamide
4((4chlorophenyl)methoxy)N(3cyano4567tetrahydro1benzothiophen2yl)3methoxybenzamide
462601996
COC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OCC4=CC=C(C=C4)Cl
COc1cc(ccc1OCc1ccc(cc1)Cl)C(=O)Nc1sc2c(c1C#N)CCCC2
InChI=1SC24H21ClN2O3Sc129211216(81120(21)3014156917(25)10715)23(28)272419(1326)18423522(18)3124h612H2514H21H3(H2728)
MFCD03242727
STK029704
ZINC000002213319
ZINC02213319
ZINC2213319

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Available files

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