Vitas-M small molecule compound
(16aS)-1',3'-dimethyl-4-nitro-9,10,16,16a-tetrahydro-2H,2'H,8H,12H-spiro[9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1,5'-pyrimidine]-2',4',6',12(1'H,3'H)-tetrone
Catalog ID
STL565693
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1[C@H]2[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[N+](=O)[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 C24H23N5O6 MW 477.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O6/c1-25-21(31)24(22(32)26(2)23(25)33)10-14-9-15(29(34)35)6-7-17(14)28-12-13-8-16(20(24)28)18-4-3-5-19(30)27(18)11-13/h3-7,9,13,16,20H,8,10-12H2,1-2H3/t13?,16?,20-/m0/s1InChIKey
QKJGBEJLTWICQQ-SKMDKRRUSA-NSynonyms
(16aS)13dimethyl4nitro9101616atetrahydro2H2H8H12Hspiro(916methanopyrido(2145)(15)diazocino(12a)quinoline15pyrimidine)24612(1H3H)tetrone
(2S)13dimethyl7nitrospiro(13diazinane531115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene)24616tetrone
(9S16R16aS)13dimethyl4nitro9101616atetrahydro1H2Hspiro(916methanopyrido(2145)(15)diazocino(12a)quinoline15pyrimidine)24612(3H8H)tetraone
16405337
InChI=1SC24H23N5O6c12521(31)24(22(32)26(2)23(25)33)1014915(29(34)35)6717(14)281213816(20(24)28)1843519(30)27(18)1113h379131620H81012H212H3t13?16?20m0s1
O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1(C@H)2(C@H)2C(C@@H)(C1)Cn1c2cccc1=O)(N+)(=O)(O)
ZINC000012664428
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.