Vitas-M small molecule compound
3-[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Catalog ID
STL309289
SMILES O=C(C(n1nnc2c(c1=O)cccc2)C)N1CCC2(C(C1)CCCC2)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 C19H24N4O3 MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O3/c1-13(23-18(25)15-7-2-3-8-16(15)20-21-23)17(24)22-11-10-19(26)9-5-4-6-14(19)12-22/h2-3,7-8,13-14,26H,4-6,9-12H2,1H3InChIKey
HAMZPLPLMKEADP-UHFFFAOYSA-NSynonyms
3((S)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)benzo(d)(123)triazin4(3H)one
3(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)123benzotriazin4one
3(1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)123benzotriazin4(3H)one
CC(C(=O)N1CCC2(CCCCC2C1)O)N3C(=O)C4=CC=CC=C4N=N3
InChI=1SC19H24N4O3c113(2318(25)15723816(15)202123)17(24)22111019(26)954614(19)1222h2378131426H46912H21H3
MFCD28028842
O=C((C@@H)(n1nnc2c(c1=O)cccc2)C)N1CC(C@@)2((C@H)(C1)CCCC2)O
ZINC000095472456
ZINC000245310067
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