Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-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
STK785399
SMILES O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1nc2c(s1)cccc2)[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 C24H22N6O5S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O5S/c1-26-20(31)24(21(32)27(2)23(26)33)12-14-11-15(30(34)35)7-8-17(14)29-10-9-28(13-19(24)29)22-25-16-5-3-4-6-18(16)36-22/h3-8,11,19H,9-10,12-13H2,1-2H3InChIKey
NWNMOVMMSXQJPR-UHFFFAOYSA-NSynonyms
3(13benzothiazol2yl)13dimethyl8nitro2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3(13benzothiazol2yl)13dimethyl8nitrospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)C5=NC6=CC=CC=C6S5)C(=O)N(C1=O)C
InChI=1SC24H22N6O5Sc12620(31)24(21(32)27(2)23(26)33)12141115(30(34)35)7817(14)2910928(1319(24)29)222516534618(16)3622h381119H9101213H212H3
MFCD07658582
O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1nc2c(s1)cccc2)(N+)(=O)(O)
ZINC000012416562
ZINC000033821866
Check stock
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Check stock on Vitas-MAvailable files
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