Vitas-M small molecule compound
(2E)-N-(4-tert-butylbenzyl)-3-(3,4-dimethoxyphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Catalog ID
STK910729
SMILES COc1ccc(cc1OC)/C=C/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 C26H33NO5S MW 471.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5S/c1-26(2,3)21-10-6-20(7-11-21)17-27(22-14-15-33(29,30)18-22)25(28)13-9-19-8-12-23(31-4)24(16-19)32-5/h6-13,16,22H,14-15,17-18H2,1-5H3/b13-9+InChIKey
GWMVUPHXBDOZNC-UKTHLTGXSA-NSynonyms
(2E)N(4tertbutylbenzyl)3(34dimethoxyphenyl)N(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)N((4tertbutylphenyl)methyl)3(34dimethoxyphenyl)N(11dioxothiolan3yl)prop2enamide
CC(C)(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC
COc1ccc(cc1OC)C=CC(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C
InChI=1SC26H33NO5Sc126(23)2110620(71121)1727(22141533(2930)1822)25(28)1391981223(314)24(1619)325h6131622H14151718H215H3b139+
MFCD07425653
ZINC000008869517
ZINC000008869518
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