Vitas-M small molecule compound

(2E)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)prop-2-enamide

Catalog ID
STK705748
SMILES CCc1ccc(cc1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(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 C26H33NO3S MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO3S/c1-5-20-6-8-22(9-7-20)18-27(24-16-17-31(29,30)19-24)25(28)15-12-21-10-13-23(14-11-21)26(2,3)4/h6-15,24H,5,16-19H2,1-4H3/b15-12+
InChIKey
YXZIUBPXVAYUEU-NTCAYCPXSA-N
Synonyms
577698-46-5
(2E)3(4tertbutylphenyl)N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)prop2enamide
(E)3(4(tertbutyl)phenyl)N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)acrylamide
(E)3(4TERTBUTYLPHENYL)N(11DIOXOTHIOLAN3YL)N((4ETHYLPHENYL)METHYL)PROP2ENAMIDE
577698465
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C=CC3=CC=C(C=C3)C(C)(C)C
CCc1ccc(cc1)CN(C1CCS(=O)(=O)C1)C(=O)C=Cc1ccc(cc1)C(C)(C)C
InChI=1SC26H33NO3Sc15206822(9720)1827(24161731(2930)1924)25(28)151221101323(141121)26(23)4h61524H51619H214H3b1512+
MFCD04027782
ZINC000002382017
ZINC000009424940

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Available files

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