Vitas-M small molecule compound
1'-benzyl-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK724737
SMILES O=C1NC(=O)C2(C(=O)N1Cc1ccccc1)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 C28H30N4O5 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O5/c1-26(2)13-20-14-27(3,16-26)22-28(12-18-11-19(32(36)37)9-10-21(18)31(20)22)23(33)29-25(35)30(24(28)34)15-17-7-5-4-6-8-17/h4-11,20,22H,12-16H2,1-3H3,(H,29,33,35)InChIKey
JWRZZLCHFOAEFJ-UHFFFAOYSA-NSynonyms
1212176-94-71212176947
1benzyl799trimethyl3nitro6a7891011hexahydro1H5Hspiro(711methanoazepino(12a)quinoline65pyrimidine)246(3H)trione
1benzyl799trimethyl3nitro6a7891011hexahydro2H5Hspiro(711methanoazepino(12a)quinoline65pyrimidine)246(1H3H)trione
CC1(CC2CC(C1)(C3N2C4=C(CC35C(=O)NC(=O)N(C5=O)CC6=CC=CC=C6)C=C(C=C4)(N+)(=O)(O))C)C
InChI=1SC28H30N4O5c126(2)13201427(31626)2228(12181119(32(36)37)91021(18)31(20)22)23(33)2925(35)30(24(28)34)15177546817h4112022H1216H213H3(H293335)
MFCD10488092
O=C1NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1cc(ccc1N1C2C2(C)CC1CC(C2)(C)C)(N+)(=O)(O)
ZINC000009128932
ZINC000245326423
Check stock
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Check stock on Vitas-MAvailable files
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