Vitas-M small molecule compound
3-nitro-1'-phenyl-2'-thioxo-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STK661479
SMILES S=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cc(ccc1N1C2CCCCC1)[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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c28-20-23(21(29)26(22(32)24-20)16-7-3-1-4-8-16)14-15-13-17(27(30)31)10-11-18(15)25-12-6-2-5-9-19(23)25/h1,3-4,7-8,10-11,13,19H,2,5-6,9,12,14H2,(H,24,28,32)InChIKey
FZCCZLXWUCTEQF-UHFFFAOYSA-NSynonyms
3nitro1phenyl2sulfanylidenespiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)46dione
3nitro1phenyl2thioxo6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H3H)dione
C1CCC2C3(CC4=C(N2CC1)C=CC(=C4)(N+)(=O)(O))C(=O)NC(=S)N(C3=O)C5=CC=CC=C5
InChI=1SC23H22N4O4Sc282023(21(29)26(22(32)2420)167314816)14151317(27(30)31)101118(15)2512625919(23)25h1347810111319H25691214H2(H242832)
MFCD06017254
S=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
ZINC000008814965
ZINC000247366110
Check stock
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Check stock on Vitas-MAvailable files
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