Vitas-M small molecule compound
Nalpha-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-L-phenylalaninamide
Catalog ID
STL551538
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N[C@H](C(=O)N)Cc1ccccc1)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 C25H25ClN2O6 MW 484.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O6/c1-13-9-15(28-16(24(27)31)10-14-7-5-4-6-8-14)11-19(29)25(13)23(30)20-17(32-2)12-18(33-3)21(26)22(20)34-25/h4-8,11-13,16,28H,9-10H2,1-3H3,(H2,27,31)/t13-,16+,25+/m1/s1InChIKey
AYAGBCGHKPVBGK-RMKYTRAYSA-NSynonyms
(2~(S))2(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)3phenylpropanamide
(S)2(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)3phenylpropanamide
127253354
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N(C@H)(C(=O)N)Cc1ccccc1)Cl
InChI=1SC25H25ClN2O6c113915(2816(24(27)31)10147546814)1119(29)25(13)23(30)2017(322)1218(333)21(26)22(20)3425h4811131628H910H213H3(H22731)t1316+25+m1s1
Nalpha((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)Lphenylalaninamide
ZINC000604404277
ZINC604404277
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