Vitas-M small molecule compound
(3aS,6R)-2-[4-(acetylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL535170
SMILES COc1ccc(cc1)CCNC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc(cc1)NC(=O)C)O2
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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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-16(30)28-18-5-7-19(8-6-18)29-15-26-13-11-21(34-26)22(23(26)25(29)32)24(31)27-14-12-17-3-9-20(33-2)10-4-17/h3-11,13,21-23H,12,14-15H2,1-2H3,(H,27,31)(H,28,30)/t21-,22?,23?,26-/m1/s1InChIKey
CRIJIRYAPRCOGQ-SFKRIFCUSA-NSynonyms
(1~(S)7~(R))3(4acetamidophenyl)~(N)(2(4methoxyphenyl)ethyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aS6R)2(4(acetylamino)phenyl)N(2(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
(3aS6R)2(4acetamidophenyl)N(4methoxyphenethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
132935120
COc1ccc(cc1)CCNC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@H)1C(=O)N(C3)c1ccc(cc1)NC(=O)C)O2
InChI=1SC26H27N3O5c116(30)28185719(8618)291526131121(3426)22(23(26)25(29)32)24(31)271412173920(332)10417h311132123H121415H212H3(H2731)(H2830)t2122?23?26m1s1
MFCD09792478
ZINC000008764666
ZINC000012897312
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