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Vitas-M small molecule compound

N-[(3E)-2,4-dihydro-3H-1,2,4-triazol-3-ylidene]-2-phenoxybutanamide

Catalog ID
STL147363
SMILES CCC(C(=O)/N=c\1/[nH]nc[nH]1)Oc1ccccc1

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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 C12H14N4O2 MW 246.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O2/c1-2-10(18-9-6-4-3-5-7-9)11(17)15-12-13-8-14-16-12/h3-8,10H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey
SQVZQJUUHCTTGC-UHFFFAOYSA-N
Synonyms
586983-20-2
2PHENOXYN(1H124TRIAZOL5YL)BUTANAMIDE
2PHENOXYN(4H124TRIAZOL3YL)BUTANAMIDE
586983202
CCC(C(=O)N=c1(nH)nc(nH)1)Oc1ccccc1
CCC(C(=O)NC1=NC=NN1)OC2=CC=CC=C2
InChI=1SC12H14N4O2c1210(189643579)11(17)1512138141612h3810H2H21H3(H21314151617)
MFCD04075438
N((3E)24DIHYDRO3H124TRIAZOL3YLIDENE)2PHENOXYBUTANAMIDE

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Available files

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

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