Vitas-M small molecule compound

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methoxyphenyl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide

Catalog ID
STK585932
SMILES COc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)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 C24H29NO4S MW 427.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO4S/c1-18(2)21-9-4-20(5-10-21)16-25(22-14-15-30(27,28)17-22)24(26)13-8-19-6-11-23(29-3)12-7-19/h4-13,18,22H,14-17H2,1-3H3/b13-8+
InChIKey
LUNKFHIDRGRQJU-MDWZMJQESA-N
Synonyms
577763-06-5
(2E)N(11dioxidotetrahydrothiophen3yl)3(4methoxyphenyl)N(4(propan2yl)benzyl)prop2enamide
(E)N(11dioxidotetrahydrothiophen3yl)N(4isopropylbenzyl)3(4methoxyphenyl)acrylamide
(E)N(11DIOXOTHIOLAN3YL)3(4METHOXYPHENYL)N((4PROPAN2YLPHENYL)METHYL)PROP2ENAMIDE
577763065
CC(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
InChI=1SC24H29NO4Sc118(2)219420(51021)1625(22141530(2728)1722)24(26)1381961123(293)12719h4131822H1417H213H3b138+
MFCD04018656
ZINC000005047367
ZINC000005047368

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Available files

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