Vitas-M small molecule compound

(3E)-4-(4H-1,2,4-triazol-3-ylamino)pent-3-en-2-one

Catalog ID
STK007535
SMILES C/C(=C\C(=O)C)/Nc1nnc[nH]1

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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 C7H10N4O MW 166.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H10N4O/c1-5(3-6(2)12)10-7-8-4-9-11-7/h3-4H,1-2H3,(H2,8,9,10,11)/b5-3+
InChIKey
FAZRRMNBQHSPDE-HWKANZROSA-N
Synonyms

(3E)4(4H124TRIAZOL3YLAMINO)PENT3EN2ONE
(E)4(1H124TRIAZOL5YLAMINO)PENT3EN2ONE
CC(=CC(=O)C)NC1=NC=NN1
CC(=CC(=O)C)Nc1nnc(nH)1
InChI=1SC7H10N4Oc15(36(2)12)107849117h34H12H3(H2891011)b53+
MFCD01072907
STK007535
ZINC000016134370
ZINC16134370

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Available files

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