Vitas-M small molecule compound

3-methyl-N-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-(1H-tetrazol-1-yl)pentanamide

Catalog ID
STL568411
SMILES CCC(C(n1cnnn1)C(=O)Nc1[nH]nc(n1)C(C)C)C

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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 C12H20N8O MW 292.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H20N8O/c1-5-8(4)9(20-6-13-18-19-20)11(21)15-12-14-10(7(2)3)16-17-12/h6-9H,5H2,1-4H3,(H2,14,15,16,17,21)
InChIKey
VRGFPHJDPZPICR-UHFFFAOYSA-N
Synonyms

(2S3S)N(5isopropyl4H124triazol3yl)3methyl2(1Htetrazol1yl)pentanamide
132286534
3methylN(3(propan2yl)1H124triazol5yl)2(1Htetrazol1yl)pentanamide
3methylN(5propan2yl1H124triazol3yl)2(tetrazol1yl)pentanamide
CC(C@@H)((C@H)(n1cnnn1)C(=O)Nc1nnc((nH)1)C(C)C)C
InChI=1SC12H20N8Oc158(4)9(20613181920)11(21)15121410(7(2)3)161712h69H5H214H3(H21415161721)
MFCD32653507
ZINC000604419704
ZINC000888090806

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Available files

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