Vitas-M small molecule compound
4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-2-ethoxyphenyl cyclopropanecarboxylate
Catalog ID
STK481725
SMILES CCOc1cc(ccc1OC(=O)C1CC1)/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 C21H19NO5S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S/c1-2-26-20-13-15(8-11-19(20)27-21(23)16-9-10-16)12-18(14-22)28(24,25)17-6-4-3-5-7-17/h3-8,11-13,16H,2,9-10H2,1H3/b18-12+InChIKey
YHCBWSRJIZVBAV-LDADJPATSA-NSynonyms
(4((E)2(benzenesulfonyl)2cyanoethenyl)2ethoxyphenyl)cyclopropanecarboxylate
4((1E)2CYANO2(PHENYLSULFONYL)VINYL)2ETHOXYPHENYLCYCLOPROPANECARBOXYLATE
4((E)2cyano2(phenylsulfonyl)ethenyl)2ethoxyphenylcyclopropanecarboxylate
CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3CC3
CCOc1cc(ccc1OC(=O)C1CC1)C=C(S(=O)(=O)c1ccccc1)C#N
InChI=1SC21H19NO5Sc1226201315(81119(20)2721(23)1691016)1218(1422)28(2425)176435717h38111316H2910H21H3b1812+
MFCD07079534
ZINC000013322268
ZINC13322268
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