Vitas-M small molecule compound

(2E)-N-[(2Z)-5-(2-fluorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide

Catalog ID
STK847370
SMILES O=C(/N=c\1/[nH]nc(s1)c1ccccc1F)/C=C/c1ccccc1

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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 C17H12FN3OS MW 325.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12FN3OS/c18-14-9-5-4-8-13(14)16-20-21-17(23-16)19-15(22)11-10-12-6-2-1-3-7-12/h1-11H,(H,19,21,22)/b11-10+
InChIKey
MRTXPIIJXAESCE-ZHACJKMWSA-N
Synonyms
128627-64-5
(2E)N((2Z)5(2fluorophenyl)134thiadiazol2(3H)ylidene)3phenylprop2enamide
(E)N(5(2FLUOROPHENYL)134THIADIAZOL2YL)3PHENYLPROP2ENAMIDE
128627645
C1=CC=C(C=C1)C=CC(=O)NC2=NN=C(S2)C3=CC=CC=C3F
InChI=1SC17H12FN3OSc1814954813(14)16202117(2316)1915(22)1110126213712h111H(H192122)b1110+
MFCD05738051
O=C(N=c1(nH)nc(s1)c1ccccc1F)C=Cc1ccccc1
ZINC000016956396
ZINC16956396

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.