Vitas-M small molecule compound
N~3~-{(E)-[(2R,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3,4'-trioxo-3H,3'H-spiro[1-benzofuran-2,1'-cyclohexan]-3'-ylidene]methyl}-N-pyridin-2-yl-beta-alaninamide
Catalog ID
STL552150
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C\NCCC(=O)Nc2ccccn2)/C1=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 C25H24ClN3O7 MW 513.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O7/c1-13-10-15(30)14(12-27-9-7-19(31)29-18-6-4-5-8-28-18)23(32)25(13)24(33)20-16(34-2)11-17(35-3)21(26)22(20)36-25/h4-6,8,11-13,27H,7,9-10H2,1-3H3,(H,28,29,31)/b14-12+/t13-,25+/m1/s1InChIKey
HKSHNZCUGBJMKF-BHEAWYKASA-NSynonyms
3(((E)((1R2R)7chloro46dimethoxy2methyl346trioxo3Hspiro(benzofuran21cyclohexan)5ylidene)methyl)amino)N(pyridin2yl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=CNCCC(=O)Nc2ccccn2)C1=O)Cl
InChI=1SC25H24ClN3O7c1131015(30)14(12279719(31)291864582818)23(32)25(13)24(33)2016(342)1117(353)21(26)22(20)3625h468111327H7910H213H3(H282931)b1412+t1325+m1s1
N~3~((E)((2R6R)7chloro46dimethoxy6methyl234trioxo3H3Hspiro(1benzofuran21cyclohexan)3ylidene)methyl)Npyridin2ylbetaalaninamide
ZINC001547138851
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