Vitas-M small molecule compound

4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid

Catalog ID
STK506060
SMILES OC(=O)CCCn1cnc(n1)[N+](=O)[O-]

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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 C6H8N4O4 MW 200.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H8N4O4/c11-5(12)2-1-3-9-4-7-6(8-9)10(13)14/h4H,1-3H2,(H,11,12)
InChIKey
VKHMLQUUROMVFW-UHFFFAOYSA-N
Synonyms
163527-47-7
163527477
4(3NITRO(124)TRIAZOL1YL)BUTYRICACID
4(3NITRO124TRIAZOL1YL)BUTANOICACID
4(3NITRO124TRIAZOLYL)BUTANOICACID
4(3nitro1H124triazol1yl)butanoicacid
4(3NITRO1H124TRIAZOLYL)BUTANOICACID
C1=NC(=NN1CCCC(=O)O)(N+)(=O)(O)
InChI=1SC6H8N4O4c115(12)2139476(89)10(13)14h4H13H2(H1112)
MFCD03768179
OC(=O)CCCn1cnc(n1)(N+)(=O)(O)
ZINC000004163878
ZINC4163878

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Available files

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