Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-({2-hydroxy-5-[2-(propan-2-yl)-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
STL549898
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cc(ccc1O)c1nnn(n1)C(C)C)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 C26H26ClN5O6 MW 539.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN5O6/c1-12(2)32-30-25(29-31-32)14-6-7-17(33)16(9-14)28-15-8-13(3)26(20(34)10-15)24(35)21-18(36-4)11-19(37-5)22(27)23(21)38-26/h6-7,9-13,28,33H,8H2,1-5H3/t13-,26+/m1/s1InChIKey
SSBJGPPDMBJCDJ-SRGMZFCMSA-NSynonyms
(1S6R)7chloro4((2hydroxy5(2isopropyl2Htetrazol5yl)phenyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(2hydroxy5(2propan2yltetrazol5yl)anilino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((2hydroxy5(2(propan2yl)2Htetrazol5yl)phenyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
135639857
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cc(ccc1O)c1nnn(n1)C(C)C)Cl
InChI=1SC26H26ClN5O6c112(2)323025(293132)146717(33)16(914)2815813(3)26(20(34)1015)24(35)2118(364)1119(375)22(27)23(21)3826h679132833H8H215H3t1326+m1s1
ZINC000604405885
ZINC604405885
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