Vitas-M small molecule compound

(2E)-3-[4-(hexyloxy)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Catalog ID
STK408856
SMILES CCCCCCOc1ccc(cc1)/C=C(/S(=O)(=O)c1ccccc1)\C#N

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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 C21H23NO3S MW 369.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3S/c1-2-3-4-8-15-25-19-13-11-18(12-14-19)16-21(17-22)26(23,24)20-9-6-5-7-10-20/h5-7,9-14,16H,2-4,8,15H2,1H3/b21-16+
InChIKey
YOEMOYWDKSHSBU-LTGZKZEYSA-N
Synonyms

(2E)3(4(hexyloxy)phenyl)2(phenylsulfonyl)prop2enenitrile
(2E)3(4HEXYLOXYPHENYL)2(PHENYLSULFONYL)PROP2ENENITRILE
(E)2(BENZENESULFONYL)3(4HEXOXYPHENYL)PROP2ENENITRILE
CCCCCCOC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2
CCCCCCOc1ccc(cc1)C=C(S(=O)(=O)c1ccccc1)C#N
InChI=1SC21H23NO3Sc12348152519131118(121419)1621(1722)26(2324)2096571020h5791416H24815H21H3b2116+
MFCD04220242
ZINC000001966887
ZINC01966887
ZINC1966887

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Available files

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