Vitas-M small molecule compound
3-phenylpropyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Catalog ID
STL301010
SMILES O=C(Cn1cnc(n1)[N+](=O)[O-])OCCCc1ccccc1
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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 C13H14N4O4 MW 290.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O4/c18-12(9-16-10-14-13(15-16)17(19)20)21-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2InChIKey
PYKLPAOPURJZLI-UHFFFAOYSA-NSynonyms
488136-37-4(3NITRO(124)TRIAZOL1YL)ACETICACID3PHENYLPROPYLESTER
3phenylpropyl(3nitro1H124triazol1yl)acetate
3PHENYLPROPYL2(3NITRO124TRIAZOL1YL)ACETATE
3PHENYLPROPYL2(3NITRO124TRIAZOLYL)ACETATE
3phenylpropyl2(3nitro1H124triazol1yl)acetate
488136374
C1=CC=C(C=C1)CCCOC(=O)CN2C=NC(=N2)(N+)(=O)(O)
InChI=1SC13H14N4O4c1812(916101413(1516)17(19)20)21847115213611h135610H479H2
MFCD03290259
O=C(Cn1cnc(n1)(N+)(=O)(O))OCCCc1ccccc1
ZINC000002332786
ZINC02332786
ZINC2332786
Check stock
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Check stock on Vitas-MAvailable files
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