Vitas-M small molecule compound
2-(cyclohex-3-en-1-yl)-1-{2-hydroxy-3-[(4-methoxyphenyl)(phenylsulfonyl)amino]propyl}-1H-3,1-benzimidazol-3-ium
Catalog ID
STL589828
SMILES COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(Cn1c2ccccc2[nH+]c1C1CCC=CC1)O
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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 C29H32N3O4S MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c1-36-25-18-16-23(17-19-25)32(37(34,35)26-12-6-3-7-13-26)21-24(33)20-31-28-15-9-8-14-27(28)30-29(31)22-10-4-2-5-11-22/h2-4,6-9,12-19,22,24,33H,5,10-11,20-21H2,1H3/p+1InChIKey
DJUNMAWMNGLEGC-UHFFFAOYSA-OSynonyms
2(cyclohex3en1yl)1(2hydroxy3((4methoxyphenyl)(phenylsulfonyl)amino)propyl)1H31benzimidazol3ium
InChI=1SC29H31N3O4Sc13625181623(171925)32(37(3435)26126371326)2124(33)20312815981427(28)3029(31)22104251122h24691219222433H510112021H21H3p+1
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