Vitas-M small molecule compound
3-nitro-1'-(prop-2-en-1-yl)-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
STK661480
SMILES C=CCN1C(=S)NC(=O)C2(C1=O)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/c1-2-9-23-18(26)20(17(25)21-19(23)29)12-13-11-14(24(27)28)7-8-15(13)22-10-5-3-4-6-16(20)22/h2,7-8,11,16H,1,3-6,9-10,12H2,(H,21,25,29)InChIKey
SEXGIEBCSZPANH-UHFFFAOYSA-NSynonyms
3nitro1(prop2en1yl)2thioxo6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H3H)dione
3nitro1prop2enyl2sulfanylidenespiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)46dione
C=CCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CCCCC4)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)(N+)(=O)(O)
InChI=1SC20H22N4O4Sc1292318(26)20(17(25)2119(23)29)12131114(24(27)28)7815(13)2210534616(20)22h2781116H13691012H2(H212529)
MFCD05859452
ZINC000004593552
ZINC000248014148
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