Vitas-M small molecule compound
4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Catalog ID
STK742718
SMILES S=C1NC(c2cccc(c2)[N+](=O)[O-])C2=C(N1)c1ccccc1CC2
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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 C18H15N3O2S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O2S/c22-21(23)13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)20-18(24)19-16/h1-7,10,16H,8-9H2,(H2,19,20,24)InChIKey
GFNDEPQFPLRONO-UHFFFAOYSA-NSynonyms
335206-60-5335206605
4(3nitrophenyl)3456tetrahydro1Hbenzo(h)quinazoline2thione
4(3nitrophenyl)3456tetrahydrobenzo(h)quinazoline2(1H)thione
C1CC2=C(C3=CC=CC=C31)NC(=S)NC2C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC18H15N3O2Sc2221(23)1363512(1013)16159811412714(11)17(15)2018(24)1916h171016H89H2(H2192024)
MFCD02577322
S=C1NC(c2cccc(c2)(N+)(=O)(O))C2=C(N1)c1ccccc1CC2
ZINC000003672347
ZINC000003672348
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