Vitas-M small molecule compound

3-[4-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one

Catalog ID
STL314501
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCCn1nnc2c(c1=O)cccc2

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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 C20H26N4O3 MW 370.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3/c25-18(23-13-11-20(27)10-4-3-6-15(20)14-23)9-5-12-24-19(26)16-7-1-2-8-17(16)21-22-24/h1-2,7-8,15,27H,3-6,9-14H2
InChIKey
SQCZSJRHVHZMDK-UHFFFAOYSA-N
Synonyms

3(4((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)4oxobutyl)benzo(d)(123)triazin4(3H)one
3(4(4ahydroxy13456788aoctahydroisoquinolin2yl)4oxobutyl)123benzotriazin4one
3(4(4ahydroxyoctahydroisoquinolin2(1H)yl)4oxobutyl)123benzotriazin4(3H)one
C1CCC2(CCN(CC2C1)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3)O
InChI=1SC20H26N4O3c2518(23131120(27)1043615(20)1423)95122419(26)16712817(16)212224h12781527H36914H2
MFCD28030747
O=C(N1CC(C@@)2((C@H)(C1)CCCC2)O)CCCn1nnc2c(c1=O)cccc2
ZINC000079494474
ZINC000095476377

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Available files

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