Vitas-M small molecule compound
N-[(2E)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-nitrobenzamide
Catalog ID
STK846487
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])/N=c/1\[nH]nc(s1)C(C)(C)C
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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 C13H14N4O3S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S/c1-13(2,3)11-15-16-12(21-11)14-10(18)8-4-6-9(7-5-8)17(19)20/h4-7H,1-3H3,(H,14,16,18)InChIKey
FTHBOQWEJRWTTI-UHFFFAOYSA-NSynonyms
93353-23-293353232
CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC13H14N4O3Sc113(23)11151612(2111)1410(18)8469(758)17(19)20h47H13H3(H141618)
MFCD03812330
N((2E)5tertbutyl134thiadiazol2(3H)ylidene)4nitrobenzamide
N(5(TERTBUTYL)(134THIADIAZOL2YL))(4NITROPHENYL)CARBOXAMIDE
N(5TERTBUTYL(134)THIADIAZOL2YL)4NITROBENZAMIDE
N(5TERTBUTYL134THIADIAZOL2YL)4NITROBENZAMIDE
O=C(c1ccc(cc1)(N+)(=O)(O))N=c1(nH)nc(s1)C(C)(C)C
ZINC000018142666
ZINC18142666
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