Vitas-M small molecule compound
1',3'-dimethyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STK782038
SMILES S=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCCC1)[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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-19-15(23)18(16(24)20(2)17(19)27)10-11-9-12(22(25)26)6-7-13(11)21-8-4-3-5-14(18)21/h6-7,9,14H,3-5,8,10H2,1-2H3InChIKey
KNBWYGXPEORLPI-UHFFFAOYSA-NSynonyms
728025-92-113dimethyl8nitro2sulfanylidenespiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)46dione
13dimethyl8nitro2thioxo1223344a6octahydro1Hspiro(pyrido(12a)quinoline55pyrimidine)46dione
13dimethyl8nitro2thioxo2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)46(1H3H)dione
728025921
CN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCC4)C(=O)N(C1=S)C
InChI=1SC18H20N4O4Sc11915(23)18(16(24)20(2)17(19)27)1011912(22(25)26)6713(11)21843514(18)21h67914H35810H212H3
MFCD06016387
S=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCCC1)(N+)(=O)(O)
ZINC000004624008
ZINC000004624009
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