Vitas-M small molecule compound
4-(4-methoxy-3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Catalog ID
STL071473
SMILES COc1ccc(cc1[N+](=O)[O-])C1NC(=S)NC2=C1CCc1c2cccc1
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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 C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-25-16-9-7-12(10-15(16)22(23)24)17-14-8-6-11-4-2-3-5-13(11)18(14)21-19(26)20-17/h2-5,7,9-10,17H,6,8H2,1H3,(H2,20,21,26)InChIKey
WTEUDANKUCCCMX-UHFFFAOYSA-NSynonyms
674305-76-14(4methoxy3nitrophenyl)3456tetrahydro1Hbenzo(h)quinazoline2thione
4(4methoxy3nitrophenyl)3456tetrahydrobenzo(h)quinazoline2(1H)thione
674305761
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C1NC(=S)NC2=C1CCc1c2cccc1
InChI=1SC19H17N3O3Sc125169712(1015(16)22(23)24)17148611423513(11)18(14)2119(26)2017h25791017H68H21H3(H2202126)
MFCD04081550
ZINC000001313597
ZINC000001313598
ZINC04001327
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