Vitas-M small molecule compound
(4Z)-4-[3-(2,4-dinitrophenoxy)benzylidene]-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Catalog ID
STK537675
SMILES O=C1OC(=N/C/1=C\c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1cccs1
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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 C20H11N3O7S MW 437.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11N3O7S/c24-20-15(21-19(30-20)18-5-2-8-31-18)10-12-3-1-4-14(9-12)29-17-7-6-13(22(25)26)11-16(17)23(27)28/h1-11H/b15-10-InChIKey
NKVVNTDBSHFSSY-GDNBJRDFSA-NSynonyms
(4Z)4((3(24DINITROPHENOXY)PHENYL)METHYLIDENE)2THIOPHEN2YL13OXAZOL5ONE
(4Z)4(3(24dinitrophenoxy)benzylidene)2(thiophen2yl)13oxazol5(4H)one
(Z)4(3(24dinitrophenoxy)benzylidene)2(thiophen2yl)oxazol5(4H)one
C1=CC(=CC(=C1)OC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C=C3C(=O)OC(=N3)C4=CC=CS4
InChI=1SC20H11N3O7Sc242015(2119(3020)185283118)101231414(912)29177613(22(25)26)1116(17)23(27)28h111Hb1510
MFCD02987795
O=C1OC(=NC1=Cc1cccc(c1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))c1cccs1
ZINC000002197941
ZINC02197941
ZINC2197941
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