Vitas-M small molecule compound

methyl 3-(3-chloro-5'-nitro-2'H-1,3'-bi-1,2,4-triazol-2'-yl)propanoate

Catalog ID
STK683541
SMILES COC(=O)CCn1nc(nc1n1cnc(n1)Cl)[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 C8H8ClN7O4 MW 301.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H8ClN7O4/c1-20-5(17)2-3-14-8(11-7(13-14)16(18)19)15-4-10-6(9)12-15/h4H,2-3H2,1H3
InChIKey
HHWWVPWIWSLLGO-UHFFFAOYSA-N
Synonyms

COC(=O)CCN1C(=NC(=N1)(N+)(=O)(O))N2C=NC(=N2)Cl
COC(=O)CCn1nc(nc1n1cnc(n1)Cl)(N+)(=O)(O)
InChI=1SC8H8ClN7O4c1205(17)23148(117(1314)16(18)19)154106(9)1215h4H23H21H3
methyl3(3chloro5nitro2H13bi124triazol2yl)propanoate
METHYL3(5(3CHLORO124TRIAZOL1YL)3NITRO124TRIAZOL1YL)PROPANOATE
MFCD05258160
ZINC000000997147
ZINC00997147
ZINC997147

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Available files

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