Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STL356088
SMILES O=C1N=C(S/C/1=C/c1cccc(c1)[N+](=O)[O-])N1CCCCCC1
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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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c20-15-14(11-12-6-5-7-13(10-12)19(21)22)23-16(17-15)18-8-3-1-2-4-9-18/h5-7,10-11H,1-4,8-9H2/b14-11+InChIKey
PFEIPBUFIZKDBX-SDNWHVSQSA-NSynonyms
(5E)2(AZEPAN1YL)5((3NITROPHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(azepan1yl)5(3nitrobenzylidene)13thiazol4(5H)one
(E)2(azepan1yl)5(3nitrobenzylidene)thiazol4(5H)one
2AZEPAN1YL5(3NITROBENZYLIDENE)THIAZOL4ONE
C1CCCN(CC1)C2=NC(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))S2
InChI=1SC16H17N3O3Sc201514(111265713(1012)19(21)22)2316(1715)1883124918h571011H1489H2b1411+
MFCD02043795
O=C1N=C(SC1=Cc1cccc(c1)(N+)(=O)(O))N1CCCCCC1
ZINC000000274798
ZINC00274798
ZINC274798
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