Vitas-M small molecule compound
1'-cyclopropyl-3-nitro-2'-sulfanyl-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Catalog ID
STK599136
SMILES SC1=NC(=O)C2(C(=O)N1C1CC1)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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c25-17-20(18(26)23(13-5-6-13)19(29)21-17)11-12-10-14(24(27)28)7-8-15(12)22-9-3-1-2-4-16(20)22/h7-8,10,13,16H,1-6,9,11H2,(H,21,25,29)InChIKey
KQQUHYXFSPMEEJ-UHFFFAOYSA-NSynonyms
879450-75-61cyclopropyl3nitro2sulfanyl6a7891011hexahydro4H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H)dione
1cyclopropyl3nitro2sulfanylidenespiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)46dione
879450756
C1CCC2C3(CC4=C(N2CC1)C=CC(=C4)(N+)(=O)(O))C(=O)NC(=S)N(C3=O)C5CC5
InChI=1SC20H22N4O4Sc251720(18(26)23(135613)19(29)2117)11121014(24(27)28)7815(12)229312416(20)22h78101316H16911H2(H212529)
MFCD07200577
SC1=NC(=O)C2(C(=O)N1C1CC1)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
ZINC000009109821
ZINC000009109824
Check stock
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