Vitas-M small molecule compound
3-(diphenylmethyl)-1',3'-dimethyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK594569
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)C(c1ccccc1)c1ccccc1)[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 C30H29N5O5 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O5/c1-31-27(36)30(28(37)32(2)29(31)38)18-22-17-23(35(39)40)13-14-24(22)34-16-15-33(19-25(30)34)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,25-26H,15-16,18-19H2,1-2H3InChIKey
IYGIDKBXBKOEFF-UHFFFAOYSA-NSynonyms
879460-67-03(diphenylmethyl)13dimethyl8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3benzhydryl13dimethyl8nitro12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
3benzhydryl13dimethyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879460670
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N(C1=O)C
InChI=1SC30H29N5O5c13127(36)30(28(37)32(2)29(31)38)18221723(35(39)40)131424(22)34161533(1925(30)34)26(2095361020)21117481221h314172526H15161819H212H3
MFCD06598206
O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)C(c1ccccc1)c1ccccc1)(N+)(=O)(O)
ZINC000097955877
ZINC000097955878
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.