Vitas-M small molecule compound
8-nitro-1'-phenyl-2'-thioxo-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
Catalog ID
STK780312
SMILES S=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cc(ccc1N1C2COCC1)[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 C21H18N4O5S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S/c26-18-21(19(27)24(20(31)22-18)14-4-2-1-3-5-14)11-13-10-15(25(28)29)6-7-16(13)23-8-9-30-12-17(21)23/h1-7,10,17H,8-9,11-12H2,(H,22,26,31)InChIKey
AALINAZXSVYISB-UHFFFAOYSA-NSynonyms
8nitro1phenyl2sulfanylidenespiro(13diazinane55244a6tetrahydro1H(14)oxazino(43a)quinoline)46dione
8nitro1phenyl2thioxo1244atetrahydro2H6Hspiro(14oxazino(43a)quinoline55pyrimidine)46(1H3H)dione
C1COCC2N1C3=C(CC24C(=O)NC(=S)N(C4=O)C5=CC=CC=C5)C=C(C=C3)(N+)(=O)(O)
InChI=1SC21H18N4O5Sc261821(19(27)24(20(31)2218)144213514)11131015(25(28)29)6716(13)2389301217(21)23h171017H891112H2(H222631)
MFCD05860119
S=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cc(ccc1N1C2COCC1)(N+)(=O)(O)
ZINC000012376668
ZINC000247338277
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