Vitas-M small molecule compound
3-[(4-methylphenyl)sulfonyl]-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STK784457
SMILES S=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)c1ccc(cc1)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 C22H21N5O6S2 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O6S2/c1-13-2-5-16(6-3-13)35(32,33)25-8-9-26-17-7-4-15(27(30)31)10-14(17)11-22(18(26)12-25)19(28)23-21(34)24-20(22)29/h2-7,10,18H,8-9,11-12H2,1H3,(H2,23,24,28,29,34)InChIKey
YQEQYEUWILXYLG-UHFFFAOYSA-NSynonyms
3((4methylphenyl)sulfonyl)8nitro2thioxo2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)46(1H3H)dione
3(4methylphenyl)sulfonyl8nitro2sulfanylidenespiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)46dione
CC1=CC=C(C=C1)S(=O)(=O)N2CCN3C(C2)C4(CC5=C3C=CC(=C5)(N+)(=O)(O))C(=O)NC(=S)NC4=O
InChI=1SC22H21N5O6S2c1132516(6313)35(3233)258926177415(27(30)31)1014(17)1122(18(26)1225)19(28)2321(34)2420(22)29h271018H891112H21H3(H22324282934)
MFCD07022318
S=C1NC(=O)C2(C(=O)N1)Cc1cc(ccc1N1C2CN(CC1)S(=O)(=O)c1ccc(cc1)C)(N+)(=O)(O)
ZINC000012461834
ZINC000248113012
Check stock
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Check stock on Vitas-MAvailable files
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