Vitas-M small molecule compound
(2S,6'R)-4'-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-7-chloro-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549688
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCc1nc2c([nH]1)cccc2)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 C25H24ClN3O5 MW 481.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5/c1-13-10-14(27-9-8-20-28-15-6-4-5-7-16(15)29-20)11-19(30)25(13)24(31)21-17(32-2)12-18(33-3)22(26)23(21)34-25/h4-7,11-13,27H,8-10H2,1-3H3,(H,28,29)/t13-,25+/m1/s1InChIKey
LZSLCFTZHXUBNN-SHZVTRLKSA-NSynonyms
(1S6R)4((2(1Hbenzo(d)imidazol2yl)ethyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3(2(1~(H)benzimidazol2yl)ethylamino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)4((2(1Hbenzimidazol2yl)ethyl)amino)7chloro46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253700
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCc1nc2c((nH)1)cccc2)Cl
InChI=1SC25H24ClN3O5c1131014(2798202815645716(15)2920)1119(30)25(13)24(31)2117(322)1218(333)22(26)23(21)3425h47111327H810H213H3(H2829)t1325+m1s1
ZINC000604404229
ZINC604404229
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