Vitas-M small molecule compound
8-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(2-fluorophenyl)-1',3'-dimethyl-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
STK579852
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1F)n1c(C)ccc1C
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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 C29H30FN5O3 MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30FN5O3/c1-18-9-10-19(2)35(18)21-11-12-23-20(15-21)16-29(26(36)31(3)28(38)32(4)27(29)37)25-17-33(13-14-34(23)25)24-8-6-5-7-22(24)30/h5-12,15,25H,13-14,16-17H2,1-4H3InChIKey
XOQOKNZJKNGNSM-UHFFFAOYSA-NSynonyms
904262-27-78(25dimethyl1Hpyrrol1yl)3(2fluorophenyl)13dimethyl12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
8(25dimethyl1Hpyrrol1yl)3(2fluorophenyl)13dimethyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
8(25dimethylpyrrol1yl)3(2fluorophenyl)13dimethylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
904262277
CC1=CC=C(N1C2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C6=CC=CC=C6F)C
InChI=1SC29H30FN5O3c11891019(2)35(18)2111122320(1521)1629(26(36)31(3)28(38)32(4)27(29)37)251733(131434(23)25)24865722(24)30h5121525H13141617H214H3
MFCD06794412
ZINC000009430059
ZINC000009430061
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