Vitas-M small molecule compound
2-[(1E)-2-ethoxybut-1-en-1-yl]-5-methoxy-3-methyl-1,3-benzoxazol-3-ium
Catalog ID
STL363177
SMILES CCO/C(=C/c1oc2c([n+]1C)cc(cc2)OC)/CC
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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 C15H20NO3 MW 262.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20NO3/c1-5-11(18-6-2)10-15-16(3)13-9-12(17-4)7-8-14(13)19-15/h7-10H,5-6H2,1-4H3/q+1/b11-10+InChIKey
LBGSPMIATZQJTK-ZHACJKMWSA-NSynonyms
2((1E)2ethoxybut1en1yl)5methoxy3methyl13benzoxazol3ium
2((E)2ETHOXYBUT1ENYL)5METHOXY3METHYL13BENZOXAZOL3IUM
2(2ETHOXYBUT1ENYL)5METHOXY3METHYLBENZOOXAZOL3IUM
CCC(=CC1=(N+)(C2=C(O1)C=CC(=C2)OC)C)OCC
CCOC(=Cc1oc2c((n+)1C)cc(cc2)OC)CC
InChI=1SC15H20NO3c1511(1862)101516(3)13912(174)7814(13)1915h710H56H214H3q+1b1110+
MFCD00643205
ZINC04737244
ZINC4737244
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