Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-({4-[(2-oxoimidazolidin-1-yl)carbonyl]phenyl}amino)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550876
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(cc1)C(=O)N1CCNC1=O)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 C26H24ClN3O7 MW 525.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O7/c1-13-10-16(29-15-6-4-14(5-7-15)24(33)30-9-8-28-25(30)34)11-19(31)26(13)23(32)20-17(35-2)12-18(36-3)21(27)22(20)37-26/h4-7,11-13,29H,8-10H2,1-3H3,(H,28,34)/t13-,26+/m1/s1InChIKey
IRJUMVUGQJILCJ-SRGMZFCMSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((4(2oxoimidazolidine1carbonyl)phenyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(4(2oxoimidazolidine1carbonyl)anilino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((4((2oxoimidazolidin1yl)carbonyl)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253996
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1)C(=O)N1CCNC1=O)Cl
InChI=1SC26H24ClN3O7c1131016(29156414(5715)24(33)30982825(30)34)1119(31)26(13)23(32)2017(352)1218(363)21(27)22(20)3726h47111329H810H213H3(H2834)t1326+m1s1
ZINC000604406325
ZINC604406325
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