Vitas-M small molecule compound

4-{[1-(2-hydroxyethyl)-1H-1,2,4-triazol-3-yl]carbonyl}piperazin-1-ium

Catalog ID
STL133966
SMILES OCCn1cnc(n1)C(=O)N1CC[NH2+]CC1

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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 C9H16N5O2 MW 226.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H15N5O2/c15-6-5-14-7-11-8(12-14)9(16)13-3-1-10-2-4-13/h7,10,15H,1-6H2/p+1
InChIKey
REOPXSSJXXDOEG-UHFFFAOYSA-O
Synonyms

(1(2hydroxyethyl)124triazol3yl)piperazin4ium1ylmethanone
4((1(2hydroxyethyl)1H124triazol3yl)carbonyl)piperazin1ium
C1CN(CC(NH2+)1)C(=O)C2=NN(C=N2)CCO
InChI=1SC9H15N5O2c1565147118(1214)9(16)1331102413h71015H16H2p+1
OCCn1cnc(n1)C(=O)N1CC(NH2+)CC1
ZINC000067172843

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Available files

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