Vitas-M small molecule compound

3-ethyl-8-nitro-1'-[3-(trifluoromethyl)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
STK598371
SMILES CCN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F

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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 C24H22F3N5O5 MW 517.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22F3N5O5/c1-2-29-8-9-30-18-7-6-17(32(36)37)10-14(18)12-23(19(30)13-29)20(33)28-22(35)31(21(23)34)16-5-3-4-15(11-16)24(25,26)27/h3-7,10-11,19H,2,8-9,12-13H2,1H3,(H,28,33,35)
InChIKey
ASLXUDMFQWJRRL-UHFFFAOYSA-N
Synonyms
879565-47-6
3ethyl8nitro1(3(trifluoromethyl)phenyl)12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
3ethyl8nitro1(3(trifluoromethyl)phenyl)2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3ethyl8nitro1(3(trifluoromethyl)phenyl)spiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
879565476
CCN1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F
CCN1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)N(C3=O)C5=CC=CC(=C5)C(F)(F)F
InChI=1SC24H22F3N5O5c12298930187617(32(36)37)1014(18)1223(19(30)1329)20(33)2822(35)31(21(23)34)1653415(1116)24(2526)27h37101119H2891213H21H3(H283335)
MFCD07639204
ZINC000009128774
ZINC000245324857

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Available files

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