Vitas-M small molecule compound
5-{(E)-2-[2-methoxy-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]ethenyl}-3-methyl-4-nitro-1,2-oxazole
Catalog ID
STL376636
SMILES COc1ccc(cc1/C=C/c1onc(c1[N+](=O)[O-])C)C12CC3CC(C2)CC(C1)C3
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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 C23H26N2O4 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4/c1-14-22(25(26)27)21(29-24-14)5-3-18-10-19(4-6-20(18)28-2)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,10,15-17H,7-9,11-13H2,1-2H3/b5-3+InChIKey
ANHRNGKBAXEJKN-HWKANZROSA-NSynonyms
5((E)2(2methoxy5(tricyclo(3311~37~)dec1yl)phenyl)ethenyl)3methyl4nitro12oxazole
5((E)2(5(1ADAMANTYL)2METHOXYPHENYL)ETHENYL)3METHYL4NITRO12OXAZOLE
CC1=NOC(=C1(N+)(=O)(O))C=CC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)OC
COc1ccc(cc1C=Cc1onc(c1(N+)(=O)(O))C)C12CC3CC(C2)CC(C1)C3
InChI=1SC23H26N2O4c11422(25(26)27)21(292414)53181019(4620(18)282)231115716(1223)917(815)1323h36101517H791113H212H3b53+
ZINC000006779955
ZINC06779955
ZINC6779955
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