Vitas-M small molecule compound
(2Z)-3-[4-(cyclopentyloxy)-3-ethoxyphenyl]-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK454875
SMILES CCOc1cc(ccc1OC1CCCC1)/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 C22H23NO4S MW 397.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO4S/c1-2-26-22-15-17(12-13-21(22)27-18-8-6-7-9-18)14-20(16-23)28(24,25)19-10-4-3-5-11-19/h3-5,10-15,18H,2,6-9H2,1H3/b20-14-InChIKey
KCESEOPUYYRVNR-ZHZULCJRSA-NSynonyms
(2Z)3(4(cyclopentyloxy)3ethoxyphenyl)2(phenylsulfonyl)prop2enenitrile
(2Z)3(4CYCLOPENTYLOXY3ETHOXYPHENYL)2(PHENYLSULFONYL)PROP2ENENITRILE
(Z)2(BENZENESULFONYL)3(4CYCLOPENTYLOXY3ETHOXYPHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC3CCCC3
CCOc1cc(ccc1OC1CCCC1)C=C(S(=O)(=O)c1ccccc1)C#N
InChI=1SC22H23NO4Sc1226221517(121321(22)2718867918)1420(1623)28(2425)19104351119h35101518H269H21H3b2014
MFCD04137333
ZINC000032573661
ZINC32573661
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