Vitas-M small molecule compound
(3aR,3bR,4aR,5aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[4,5]cyclopenta[1,2-d][1,2]oxazol-5a(3aH)-yl benzoate
Catalog ID
STL527995
SMILES CC1=NO[C@]2([C@@H]1[C@H]1[C@H](C1(C)C)C2)OC(=O)c1ccccc1
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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 C17H19NO3 MW 285.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO3/c1-10-13-14-12(16(14,2)3)9-17(13,21-18-10)20-15(19)11-7-5-4-6-8-11/h4-8,12-14H,9H2,1-3H3/t12-,13+,14-,17-/m1/s1InChIKey
XQARVZWMMRTXAN-UMPJEAMMSA-NSynonyms
956777-76-7((1~(R)2~(R)4~(R)6~(R))339trimethyl7oxa8azatricyclo(4300^(24))non8en6yl)benzoate
(3aR3bR4aR5aR)344trimethyl3a3b44a55ahexahydrocyclopropa(45)cyclopenta(12d)isoxazol5aylbenzoate
(3aR3bR4aR5aR)344trimethyl3b44a5tetrahydrocyclopropa(45)cyclopenta(12d)(12)oxazol5a(3aH)ylbenzoate
906949
956777767
CC1=NO(C@)2((C@@H)1(C@H)1(C@H)(C1(C)C)C2)OC(=O)c1ccccc1
InChI=1SC17H19NO3c110131412(16(142)3)917(13211810)2015(19)117546811h481214H9H213H3t1213+1417m1s1
MFCD03662067
ZINC000000488822
ZINC488822
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