Vitas-M small molecule compound
(5E)-5-(3-nitrobenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Catalog ID
STK538162
SMILES O=C1N=C(S/C/1=C/c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1[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 C20H17N5O5S MW 439.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5S/c26-19-18(13-14-4-3-5-15(12-14)24(27)28)31-20(21-19)23-10-8-22(9-11-23)16-6-1-2-7-17(16)25(29)30/h1-7,12-13H,8-11H2/b18-13+InChIKey
TZHMZLBYHYKZDJ-QGOAFFKASA-NSynonyms
369397-98-8(5E)5((3NITROPHENYL)METHYLIDENE)2(4(2NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5E)5(3nitrobenzylidene)2(4(2nitrophenyl)piperazin1yl)13thiazol4(5H)one
(E)5(3nitrobenzylidene)2(4(2nitrophenyl)piperazin1yl)thiazol4(5H)one
369397988
C1CN(CCN1C2=CC=CC=C2(N+)(=O)(O))C3=NC(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
InChI=1SC20H17N5O5Sc261918(131443515(1214)24(27)28)3120(2119)2310822(91123)16612717(16)25(29)30h171213H811H2b1813+
MFCD03000406
O=C1N=C(SC1=Cc1cccc(c1)(N+)(=O)(O))N1CCN(CC1)c1ccccc1(N+)(=O)(O)
ZINC000009271757
ZINC09271757
ZINC9271757
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