Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-{[2-hydroxy-3-methoxy-5-(2H-tetrazol-5-yl)phenyl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550488
SMILES COc1cc(cc(c1O)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1nn[nH]n1
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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 C24H22ClN5O7 MW 527.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O7/c1-10-5-12(26-13-6-11(23-27-29-30-28-23)7-16(36-4)20(13)32)8-17(31)24(10)22(33)18-14(34-2)9-15(35-3)19(25)21(18)37-24/h6-10,26,32H,5H2,1-4H3,(H,27,28,29,30)/t10-,24+/m1/s1InChIKey
RCYSVYMNXYXLAN-ZZDSUILFSA-NSynonyms
(1S6R)7chloro4((2hydroxy3methoxy5(2Htetrazol5yl)phenyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(2hydroxy3methoxy5(2~(H)tetrazol5yl)anilino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((2hydroxy3methoxy5(2Htetrazol5yl)phenyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
135639905
COc1cc(cc(c1O)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1nn(nH)n1
InChI=1SC24H22ClN5O7c110512(2613611(232729302823)716(364)20(13)32)817(31)24(10)22(33)1814(342)915(353)19(25)21(18)3724h6102632H5H214H3(H27282930)t1024+m1s1
ZINC000604405586
ZINC604405586
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