Vitas-M small molecule compound
(2S,6'R)-4'-{[(1S)-1-(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
STL549528
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N[C@H](c1nc2c([nH]1)cccc2)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 C25H24ClN3O5 MW 481.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5/c1-12-9-14(27-13(2)24-28-15-7-5-6-8-16(15)29-24)10-19(30)25(12)23(31)20-17(32-3)11-18(33-4)21(26)22(20)34-25/h5-8,10-13,27H,9H2,1-4H3,(H,28,29)/t12-,13+,25+/m1/s1InChIKey
GJYDYCSGFGFYLV-OCDDVZBJSA-NSynonyms
(1S6R)4(((S)1(1Hbenzo(d)imidazol2yl)ethyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3(((1~(S))1(1~(H)benzimidazol2yl)ethyl)amino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)4(((1S)1(1Hbenzimidazol2yl)ethyl)amino)7chloro46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127252757
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N(C@H)(c1nc2c((nH)1)cccc2)C)Cl
InChI=1SC25H24ClN3O5c112914(2713(2)242815756816(15)2924)1019(30)25(12)23(31)2017(323)1118(334)21(26)22(20)3425h58101327H9H214H3(H2829)t1213+25+m1s1
ZINC000604404400
ZINC604404400
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