Vitas-M small molecule compound
(9R,16S)-4-(acetylamino)-12-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide
Catalog ID
STL552178
SMILES CC(=O)Nc1ccc2c(c1)CC(C1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCC1CCCO1
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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 C27H32N4O4 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O4/c1-16(32)29-19-7-8-23-18(11-19)12-22(27(34)28-13-20-4-3-9-35-20)26-21-10-17(15-31(23)26)14-30-24(21)5-2-6-25(30)33/h2,5-8,11,17,20-22,26H,3-4,9-10,12-15H2,1H3,(H,28,34)(H,29,32)/t17-,20?,21+,22?,26?/m0/s1InChIKey
AIQKLXATIRCFMG-XUSMYSEOSA-NSynonyms
(1~(S)13~(R))7acetamido16oxo~(N)(oxolan2ylmethyl)1115diazapentacyclo(11710^(211)0^(510)0^(1520))henicosa5(10)681719pentaene3carboxamide
(1R9R16S16aR)4acetamido12oxoN((tetrahydrofuran2yl)methyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(9R16S)4(acetylamino)12oxoN(tetrahydrofuran2ylmethyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
135640457
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCC1CCCO1
InChI=1SC27H32N4O4c116(32)2919782318(1119)1222(27(34)2813204393520)26211017(1531(23)26)143024(21)52625(30)33h2581117202226H349101215H21H3(H2834)(H2932)t1720?21+22?26?m0s1
ZINC001547208760
ZINC001547208763
Check stock
See real-time availability and sample size for STL552178 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.