Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550388
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cccc(c1)Cn1cncn1)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 C25H23ClN4O5 MW 494.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O5/c1-14-7-17(29-16-6-4-5-15(8-16)11-30-13-27-12-28-30)9-20(31)25(14)24(32)21-18(33-2)10-19(34-3)22(26)23(21)35-25/h4-6,8-10,12-14,29H,7,11H2,1-3H3/t14-,25+/m1/s1InChIKey
PWNWYTSMWWSZQG-PWECECGKSA-NSynonyms
(1S6R)4((3((1H124triazol1yl)methyl)phenyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(3(124triazol1ylmethyl)anilino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((3(1H124triazol1ylmethyl)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253971
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cccc(c1)Cn1cncn1)Cl
InChI=1SC25H23ClN4O5c114717(291664515(816)11301327122830)920(31)25(14)24(32)2118(332)1019(343)22(26)23(21)3525h46810121429H711H213H3t1425+m1s1
ZINC000604406354
ZINC604406354
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