Vitas-M small molecule compound
(2S,6'R)-4'-{[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino}-7-chloro-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549618
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N[C@H](c1nc2c([nH]1)cccc2)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 C27H28ClN3O5 MW 509.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O5/c1-13(2)23(26-30-16-8-6-7-9-17(16)31-26)29-15-10-14(3)27(20(32)11-15)25(33)21-18(34-4)12-19(35-5)22(28)24(21)36-27/h6-9,11-14,23,29H,10H2,1-5H3,(H,30,31)/t14-,23+,27+/m1/s1InChIKey
ZWROYVHPGQIVEB-XXXWZAQXSA-NSynonyms
(1S6R)4(((S)1(1Hbenzo(d)imidazol2yl)2methylpropyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3(((1~(S))1(1~(H)benzimidazol2yl)2methylpropyl)amino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)4(((1S)1(1Hbenzimidazol2yl)2methylpropyl)amino)7chloro46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253161
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N(C@H)(c1nc2c((nH)1)cccc2)C(C)C)Cl
InChI=1SC27H28ClN3O5c113(2)23(263016867917(16)3126)29151014(3)27(20(32)1115)25(33)2118(344)1219(355)22(28)24(21)3627h6911142329H10H215H3(H3031)t1423+27+m1s1
ZINC000604406276
ZINC604406276
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