Vitas-M small molecule compound

N-(4-tert-butylbenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(heptyloxy)benzamide

Catalog ID
STK910935
SMILES CCCCCCCOc1ccc(cc1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)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 C29H41NO4S MW 499.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41NO4S/c1-5-6-7-8-9-19-34-27-16-12-24(13-17-27)28(31)30(26-18-20-35(32,33)22-26)21-23-10-14-25(15-11-23)29(2,3)4/h10-17,26H,5-9,18-22H2,1-4H3
InChIKey
WTOZBYZDSACSQU-UHFFFAOYSA-N
Synonyms

CCCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C3CCS(=O)(=O)C3
InChI=1SC29H41NO4Sc156789193427161224(131727)28(31)30(26182035(3233)2226)2123101425(151123)29(23)4h101726H591822H214H3
MFCD07425827
N((4tertbutylphenyl)methyl)N(11dioxothiolan3yl)4heptoxybenzamide
N(4tertbutylbenzyl)N(11dioxidotetrahydrothiophen3yl)4(heptyloxy)benzamide
ZINC000098048001
ZINC000098048002

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Available files

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