Vitas-M small molecule compound
8-nitro-1'-phenyl-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
STK661483
SMILES S=C1NC(=O)C2(C(=O)N1c1ccccc1)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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c27-19-22(20(28)25(21(31)23-19)15-6-2-1-3-7-15)13-14-12-16(26(29)30)9-10-17(14)24-11-5-4-8-18(22)24/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H,23,27,31)InChIKey
DGZOVTGIRHWQLK-UHFFFAOYSA-NSynonyms
8nitro1phenyl2sulfanylidenespiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)46dione
8nitro1phenyl2thioxo2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)46(1H3H)dione
C1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=S)N(C3=O)C5=CC=CC=C5
InChI=1SC22H20N4O4Sc271922(20(28)25(21(31)2319)156213715)13141216(26(29)30)91017(14)241154818(22)24h13679101218H4581113H2(H232731)
MFCD06016394
S=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1cc(ccc1N1C2CCCC1)(N+)(=O)(O)
ZINC000009122847
ZINC000247356807
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