Vitas-M small molecule compound

3-{[1-methyl-3-(2-methylpropyl)-1H-pyrazol-5-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL496791
SMILES CC(Cc1cc(n(n1)C)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)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 C20H26N4O2 MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2/c1-13(2)7-16-9-18(22(3)21-16)20(26)23-10-14-8-15(12-23)17-5-4-6-19(25)24(17)11-14/h4-6,9,13-15H,7-8,10-12H2,1-3H3
InChIKey
YDVJBYQFZHSTRH-UHFFFAOYSA-N
Synonyms

(1R5S)3(3isobutyl1methyl1Hpyrazole5carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((1methyl3(2methylpropyl)1Hpyrazol5yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
91637349
CC(Cc1cc(n(n1)C)C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC20H26N4O2c113(2)716918(22(3)2116)20(26)231014815(1223)1754619(25)24(17)1114h4691315H781012H213H3
MFCD31751502
ZINC000230205580

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Available files

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