Vitas-M small molecule compound

(2E)-N-(4-tert-butylbenzyl)-3-(2-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide

Catalog ID
STK910888
SMILES O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)/C=C/c1ccccc1Cl

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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 C24H28ClNO3S MW 446.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClNO3S/c1-24(2,3)20-11-8-18(9-12-20)16-26(21-14-15-30(28,29)17-21)23(27)13-10-19-6-4-5-7-22(19)25/h4-13,21H,14-17H2,1-3H3/b13-10+
InChIKey
WSHIKFJELHFCED-JLHYYAGUSA-N
Synonyms

(2E)N(4tertbutylbenzyl)3(2chlorophenyl)N(11dioxidotetrahydrothiophen3yl)prop2enamide
(E)N((4tertbutylphenyl)methyl)3(2chlorophenyl)N(11dioxothiolan3yl)prop2enamide
CC(C)(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C=CC3=CC=CC=C3Cl
InChI=1SC24H28ClNO3Sc124(23)2011818(91220)1626(21141530(2829)1721)23(27)131019645722(19)25h41321H1417H213H3b1310+
MFCD07425780
O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C)C=Cc1ccccc1Cl
ZINC000008869671
ZINC000008869672

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Available files

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