Vitas-M small molecule compound
(2E)-3-[(2-nitrophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK898369
SMILES N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1cccc(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 C18H11N5O4S MW 393.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N5O4S/c19-9-13(10-20-15-6-1-2-7-17(15)23(26)27)18-21-16(11-28-18)12-4-3-5-14(8-12)22(24)25/h1-8,10-11,20H/b13-10+InChIKey
WJWDRFFRWWIHGD-JLHYYAGUSA-NSynonyms
(2E)3((2nitrophenyl)amino)2(4(3nitrophenyl)13thiazol2yl)prop2enenitrile
(E)3(2nitroanilino)2(4(3nitrophenyl)13thiazol2yl)prop2enenitrile
C1=CC=C(C(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H11N5O4Sc19913(102015612717(15)23(26)27)182116(112818)1243514(812)22(24)25h18101120Hb1310+
MFCD18172944
N#CC(=CNc1ccccc1(N+)(=O)(O))c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000004063676
ZINC4063676
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