Vitas-M small molecule compound
(10E)-10-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-7-(thiophen-2-yl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STL025921
SMILES [O-][N+](=O)c1cc2OCOc2cc1/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
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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 C26H17N3O5S2 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N3O5S2/c30-25-22(11-15-10-19-20(34-13-33-19)12-18(15)29(31)32)36-26-27-23-16-5-2-1-4-14(16)7-8-17(23)24(28(25)26)21-6-3-9-35-21/h1-6,9-12,24H,7-8,13H2/b22-11+InChIKey
PBINIDUOUICDHZ-SSDVNMTOSA-NSynonyms
497226-16-1(10E)10((6nitro13benzodioxol5yl)methylidene)7(thiophen2yl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(E)10((6nitrobenzo(d)(13)dioxol5yl)methylene)7(thiophen2yl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
(O)(N+)(=O)c1cc2OCOc2cc1C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
10((6NITRO13BENZODIOXOL5YL)METHYLENE)7(2THIENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
497226161
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CS5)C(=O)C(=CC6=CC7=C(C=C6(N+)(=O)(O))OCO7)S4
InChI=1SC26H17N3O5S2c302522(1115101920(34133319)1218(15)29(31)32)3626272316521414(16)7817(23)24(28(25)26)216393521h1691224H7813H2b2211+
MFCD02799033
ZINC000008438543
ZINC000008438545
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.