Vitas-M small molecule compound
2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one
Catalog ID
STK590455
SMILES OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)[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 C21H24N4O5 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5/c1-19(2)8-13-9-20(3,10-19)15-21(16(26)22-18(28)23-17(21)27)7-11-6-12(25(29)30)4-5-14(11)24(13)15/h4-6,13,15H,7-10H2,1-3H3,(H2,22,23,26,27,28)InChIKey
WXTBTYWPGPEHNG-UHFFFAOYSA-NSynonyms
1177726-86-11177726861
26dihydroxy799trimethyl3nitro6a7891011hexahydro4H5Hspiro(711methanoazepino(12a)quinoline65pyrimidin)4one
CC1(CC2CC(C1)(C3N2C4=C(CC35C(=O)NC(=O)NC5=O)C=C(C=C4)(N+)(=O)(O))C)C
InChI=1SC21H24N4O5c119(2)813920(31019)1521(16(26)2218(28)2317(21)27)711612(25(29)30)4514(11)24(13)15h461315H710H213H3(H22223262728)
MFCD07201357
OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)(N+)(=O)(O)
ZINC000009111242
ZINC000105801708
Check stock
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Check stock on Vitas-MAvailable files
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