Vitas-M small molecule compound
(3aR,4R,7S,7aR)-3-[(E)-2-phenylethenyl]-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole
Catalog ID
STK582290
SMILES c1ccc(cc1)/C=C/C1=NO[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1
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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 C16H17NO MW 239.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO/c1-2-4-11(5-3-1)6-9-14-15-12-7-8-13(10-12)16(15)18-17-14/h1-6,9,12-13,15-16H,7-8,10H2/b9-6+/t12-,13+,15-,16-/m1/s1InChIKey
OOALPKOOEOYAJD-YRKBBOHXSA-NSynonyms
(3aR4R7S7aR)3((E)2phenylethenyl)3a45677ahexahydro47methano12benzoxazole
(3aR4R7S7aR)3((E)styryl)3a45677ahexahydro47methanobenzo(d)isoxazole
c1ccc(cc1)C=CC1=NO(C@H)2(C@@H)1(C@@H)1CC(C@H)2C1
c1ccc(cc1)C=CC1=NO(C@H)2(C@@H)1(C@H)1CC(C@@H)2C1
MFCD18245689
ZINC000005205307
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