Vitas-M small molecule compound
8-methoxy-4-(3-nitrophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Catalog ID
STL037973
SMILES COc1ccc2c(c1)CCC1=C2NC(=S)NC1c1cccc(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 C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-25-14-6-8-15-11(10-14)5-7-16-17(20-19(26)21-18(15)16)12-3-2-4-13(9-12)22(23)24/h2-4,6,8-10,17H,5,7H2,1H3,(H2,20,21,26)InChIKey
STFIYRVRCCJXBC-UHFFFAOYSA-NSynonyms
8methoxy4(3nitrophenyl)3456tetrahydro1Hbenzo(h)quinazoline2thione
8methoxy4(3nitrophenyl)3456tetrahydrobenzo(h)quinazoline2(1H)thione
COC1=CC2=C(C=C1)C3=C(CC2)C(NC(=S)N3)C4=CC(=CC=C4)(N+)(=O)(O)
COc1ccc2c(c1)CCC1=C2NC(=S)NC1c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H17N3O3Sc12514681511(1014)571617(2019(26)2118(15)16)1232413(912)22(23)24h24681017H57H21H3(H2202126)
MFCD01246613
ZINC000001311180
ZINC000001311181
ZINC04001315
ZINC04001316
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