Vitas-M small molecule compound
(8E)-8-(3-nitrobenzylidene)-4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Catalog ID
STK993650
SMILES S=C1NC2=C(C(N1)c1ccccc1)CCC/C/2=C\c1cccc(c1)[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 C21H19N3O2S MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S/c25-24(26)17-10-4-6-14(13-17)12-16-9-5-11-18-19(15-7-2-1-3-8-15)22-21(27)23-20(16)18/h1-4,6-8,10,12-13,19H,5,9,11H2,(H2,22,23,27)/b16-12+InChIKey
YNEWEISRBQJILB-FOWTUZBSSA-NSynonyms
(8E)8((3nitrophenyl)methylidene)4phenyl134567hexahydroquinazoline2thione
(8E)8(3nitrobenzylidene)4phenyl345678hexahydroquinazoline2(1H)thione
C1CC(=CC2=CC(=CC=C2)(N+)(=O)(O))C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4
InChI=1SC21H19N3O2Sc2524(26)17104614(1317)121695111819(157213815)2221(27)2320(16)18h146810121319H5911H2(H2222327)b1612+
MFCD18184944
S=C1NC2=C(C(N1)c1ccccc1)CCCC2=Cc1cccc(c1)(N+)(=O)(O)
ZINC000057374810
ZINC000057374811
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