Vitas-M small molecule compound
(2E)-N-(4-tert-butylbenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
Catalog ID
STK910895
SMILES COc1ccc(cc1)/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 C25H31NO4S MW 441.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4S/c1-25(2,3)21-10-5-20(6-11-21)17-26(22-15-16-31(28,29)18-22)24(27)14-9-19-7-12-23(30-4)13-8-19/h5-14,22H,15-18H2,1-4H3/b14-9+InChIKey
RZVVGCJKWWUILR-NTEUORMPSA-NSynonyms
(2E)N(4tertbutylbenzyl)N(11dioxidotetrahydrothiophen3yl)3(4methoxyphenyl)prop2enamide
(E)N((4tertbutylphenyl)methyl)N(11dioxothiolan3yl)3(4methoxyphenyl)prop2enamide
CC(C)(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C=CC3=CC=C(C=C3)OC
COc1ccc(cc1)C=CC(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C
InChI=1SC25H31NO4Sc125(23)2110520(61121)1726(22151631(2829)1822)24(27)1491971223(304)13819h51422H1518H214H3b149+
MFCD07425787
ZINC000008869695
ZINC000008869696
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