Vitas-M small molecule compound
1H-1,2,4-triazol-1-ylmethyl 3-nitrobenzoate
Catalog ID
STK366486
SMILES O=C(c1cccc(c1)[N+](=O)[O-])OCn1cncn1
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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 C10H8N4O4 MW 248.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8N4O4/c15-10(18-7-13-6-11-5-12-13)8-2-1-3-9(4-8)14(16)17/h1-6H,7H2InChIKey
KMAVQHIPSPMXRH-UHFFFAOYSA-NSynonyms
124TRIAZOL1YLMETHYL3NITROBENZOATE
124TRIAZOLYLMETHYL3NITROBENZOATE
1H124triazol1ylmethyl3nitrobenzoate
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OCN2C=NC=N2
InChI=1SC10H8N4O4c1510(1871361151213)82139(48)14(16)17h16H7H2
MFCD00451441
O=C(c1cccc(c1)(N+)(=O)(O))OCn1cncn1
ZINC000000347618
ZINC00347618
ZINC347618
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