Vitas-M small molecule compound
2-(4-ethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide
Catalog ID
STK844562
SMILES CCOc1ccc(cc1)c1[n+]([O-])c2CCCCCc2[n+](c1C)[O-]
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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 C18H22N2O3 MW 314.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3/c1-3-23-15-11-9-14(10-12-15)18-13(2)19(21)16-7-5-4-6-8-17(16)20(18)22/h9-12H,3-8H2,1-2H3InChIKey
RUPHNSPLUBQSQZ-UHFFFAOYSA-NSynonyms
433241-82-82(4ethoxyphenyl)3methyl6789tetrahydro5Hcyclohepta(b)pyrazine14dioxide
3(4ethoxyphenyl)2methyl1oxido6789tetrahydro5Hcyclohepta(b)pyrazin4ium4oxide
433241828
CCOC1=CC=C(C=C1)C2=C(N(C3=C((N+)2=O)CCCCC3)(O))C
CCOc1ccc(cc1)c1(n+)((O))c2CCCCCc2(n+)(c1C)(O)
InChI=1SC18H22N2O3c13231511914(101215)1813(2)19(21)167546817(16)20(18)22h912H38H212H3
MFCD03145132
ZINC000103725443
ZINC01875185
ZINC1875185
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