Vitas-M small molecule compound
1-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium
Catalog ID
STL147111
SMILES COc1ccc(cc1)C(=O)C([n+]1ccc(cc1)c1nnc2n1CCCCC2)C
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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 C22H25N4O2 MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N4O2/c1-16(21(27)17-7-9-19(28-2)10-8-17)25-14-11-18(12-15-25)22-24-23-20-6-4-3-5-13-26(20)22/h7-12,14-16H,3-6,13H2,1-2H3/q+1InChIKey
GOCRPMBGERREAJ-UHFFFAOYSA-NSynonyms
1(1(4methoxyphenyl)1oxopropan2yl)4(6789tetrahydro5H(124)triazolo(43a)azepin3yl)pyridinium
1(4methoxyphenyl)2(4(6789tetrahydro5H(124)triazolo(43a)azepin3yl)pyridin1ium1yl)propan1one
2(4(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YL)PYRIDYL)1(4METHOXYPHENYL)PROPAN1ONE
CC(C(=O)C1=CC=C(C=C1)OC)(N+)2=CC=C(C=C2)C3=NN=C4N3CCCCC4
COc1ccc(cc1)C(=O)C((n+)1ccc(cc1)c1nnc2n1CCCCC2)C
InChI=1SC22H25N4O2c116(21(27)177919(282)10817)25141118(121525)2224232064351326(20)22h7121416H3613H212H3q+1
MFCD02990957
ZINC000001904487
ZINC000001904492
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