Vitas-M small molecule compound
(2E)-3-{3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4-methoxyphenyl}-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK454967
SMILES N#C/C(=C\c1ccc(c(c1)COc1ccc2c(c1)CCC2)OC)/S(=O)(=O)c1ccccc1
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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 C26H23NO4S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO4S/c1-30-26-13-10-19(15-25(17-27)32(28,29)24-8-3-2-4-9-24)14-22(26)18-31-23-12-11-20-6-5-7-21(20)16-23/h2-4,8-16H,5-7,18H2,1H3/b25-15+InChIKey
RSLFBXNCZJRZSG-MFKUBSTISA-NSynonyms
(2E)3(3((23dihydro1Hinden5yloxy)methyl)4methoxyphenyl)2(phenylsulfonyl)prop2enenitrile
(2E)3(3(INDAN5YLOXYMETHYL)4METHOXYPHENYL)2(PHENYLSULFONYL)PROP2ENENITRILE
(E)2(BENZENESULFONYL)3(3(23DIHYDRO1HINDEN5YLOXYMETHYL)4METHOXYPHENYL)PROP2ENENITRILE
COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)COC3=CC4=C(CCC4)C=C3
InChI=1SC26H23NO4Sc13026131019(1525(1727)32(2829)248324924)1422(26)18312312112065721(20)1623h24816H5718H21H3b2515+
MFCD04220689
N#CC(=Cc1ccc(c(c1)COc1ccc2c(c1)CCC2)OC)S(=O)(=O)c1ccccc1
ZINC000002858877
ZINC02858877
ZINC2858877
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