Vitas-M small molecule compound

3-benzyl-8-nitro-1'-phenyl-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
STK686823
SMILES [O-][N+](=O)c1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccccc2)C(=O)NC(=O)N(C1=O)c1ccccc1

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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 C28H25N5O5 MW 511.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O5/c34-25-28(26(35)32(27(36)29-25)21-9-5-2-6-10-21)16-20-15-22(33(37)38)11-12-23(20)31-14-13-30(18-24(28)31)17-19-7-3-1-4-8-19/h1-12,15,24H,13-14,16-18H2,(H,29,34,36)
InChIKey
GIGRYAROVNOOBB-UHFFFAOYSA-N
Synonyms
(O)(N+)(=O)c1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
3benzyl8nitro1phenyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3benzyl8nitro1phenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
C1CN2C(CN1CC3=CC=CC=C3)C4(CC5=C2C=CC(=C5)(N+)(=O)(O))C(=O)NC(=O)N(C4=O)C6=CC=CC=C6
Registry IDs
MFCD06017821
ZINC000012376423
ZINC000103022441

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Available files

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