Vitas-M small molecule compound
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium
Catalog ID
STL147106
SMILES COc1ccc(cc1)C(=O)C[n+]1ccc(cc1)c1nnc2n1CCCCC2
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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 C21H23N4O2 MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N4O2/c1-27-18-8-6-16(7-9-18)19(26)15-24-13-10-17(11-14-24)21-23-22-20-5-3-2-4-12-25(20)21/h6-11,13-14H,2-5,12,15H2,1H3/q+1InChIKey
IJQBMKKBISINMM-UHFFFAOYSA-NSynonyms
1(2(4methoxyphenyl)2oxoethyl)4(6789tetrahydro5H(124)triazolo(43a)azepin3yl)pyridinium
1(4methoxyphenyl)2(4(6789tetrahydro5H(124)triazolo(43a)azepin3yl)pyridin1ium1yl)ethanone
COC1=CC=C(C=C1)C(=O)C(N+)2=CC=C(C=C2)C3=NN=C4N3CCCCC4
COc1ccc(cc1)C(=O)C(n+)1ccc(cc1)c1nnc2n1CCCCC2
InChI=1SC21H23N4O2c127188616(7918)19(26)1524131017(111424)2123222053241225(20)21h6111314H251215H21H3q+1
MFCD02986399
ZINC000001831868
ZINC01831868
ZINC1831868
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