Vitas-M small molecule compound
(9R,16S)-4-(acetylamino)-N-[2-(cyclohex-1-en-1-yl)ethyl]-12-oxo-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
STL551786
SMILES CC(=O)Nc1ccc2c(c1)CC(C1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCC1=CCCCC1
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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 C30H36N4O3 MW 500.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O3/c1-19(35)32-23-10-11-26-22(15-23)16-25(30(37)31-13-12-20-6-3-2-4-7-20)29-24-14-21(18-34(26)29)17-33-27(24)8-5-9-28(33)36/h5-6,8-11,15,21,24-25,29H,2-4,7,12-14,16-18H2,1H3,(H,31,37)(H,32,35)/t21-,24+,25?,29?/m0/s1InChIKey
UNJCWFPNPBBAQI-LTNADDAXSA-NSynonyms
(1~(S)13~(R))7acetamido~(N)(2(cyclohexen1yl)ethyl)16oxo1115diazapentacyclo(11710^(211)0^(510)0^(1520))henicosa5(10)681719pentaene3carboxamide
(1R9R16S16aR)4acetamidoN(2(cyclohex1en1yl)ethyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(9R16S)4(acetylamino)N(2(cyclohex1en1yl)ethyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
135640130
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCC1=CCCCC1
InChI=1SC30H36N4O3c119(35)322310112622(1523)1625(30(37)311312206324720)29241421(1834(26)29)173327(24)85928(33)36h568111521242529H24712141618H21H3(H3137)(H3235)t2124+25?29?m0s1
ZINC001547206062
ZINC001547206065
Check stock
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Check stock on Vitas-MAvailable files
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