Vitas-M small molecule compound
7-chloro-4'-[(1,1-dioxido-2,3-dihydrothiophen-3-yl)amino]-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549275
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)NC1C=CS(=O)(=O)C1)Cl
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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 C20H20ClNO7S MW 453.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClNO7S/c1-10-6-12(22-11-4-5-30(25,26)9-11)7-15(23)20(10)19(24)16-13(27-2)8-14(28-3)17(21)18(16)29-20/h4-5,7-8,10-11,22H,6,9H2,1-3H3InChIKey
NAKOPHOKWPCROL-UHFFFAOYSA-NSynonyms
(1S6R)7chloro4((11dioxido23dihydrothiophen3yl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286412
7chloro3((11dioxo23dihydrothiophen3yl)amino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
7chloro4((11dioxido23dihydrothiophen3yl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NC1C=CS(=O)(=O)C1)Cl
InChI=1SC20H20ClNO7Sc110612(22114530(2526)911)715(23)20(10)19(24)1613(272)814(283)17(21)18(16)2920h4578101122H69H213H3
MFCD31756892
ZINC000888090238
ZINC000888090241
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