Vitas-M small molecule compound

N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-phenylbutanamide

Catalog ID
STK648140
SMILES COCc1n[nH]/c(=N\C(=O)CCCc2ccccc2)/s1

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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 C14H17N3O2S MW 291.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O2S/c1-19-10-13-16-17-14(20-13)15-12(18)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,17,18)
InChIKey
CVBYRWWCQRUACU-UHFFFAOYSA-N
Synonyms
510763-88-9
COCC1=NN=C(S1)NC(=O)CCCC2=CC=CC=C2
COCc1n(nH)c(=NC(=O)CCCc2ccccc2)s1
InChI=1SC14H17N3O2Sc1191013161714(2013)1512(18)958116324711h2467H5810H21H3(H151718)
MFCD18164812
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)4phenylbutanamide
N(5(METHOXYMETHYL)(134THIADIAZOL2YL))4PHENYLBUTANAMIDE
ZINC00380366
ZINC380366

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Available files

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