Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-amine
Catalog ID
STK688118
SMILES [O-][N+](=O)c1c(C)n[nH]c1c1n[nH]c(n1)Nc1ccc2c(c1)OCCO2
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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 C14H13N7O4 MW 343.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N7O4/c1-7-12(21(22)23)11(18-17-7)13-16-14(20-19-13)15-8-2-3-9-10(6-8)25-5-4-24-9/h2-3,6H,4-5H2,1H3,(H,17,18)(H2,15,16,19,20)InChIKey
SJSCHXFAYNHBIG-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1c(C)n(nH)c1c1n(nH)c(n1)Nc1ccc2c(c1)OCCO2
CC1=C(C(=NN1)C2=NC(=NN2)NC3=CC4=C(C=C3)OCCO4)(N+)(=O)(O)
InChI=1SC14H13N7O4c1712(21(22)23)11(18177)131614(201913)15823910(68)2554249h236H45H21H3(H1718)(H215161920)
MFCD07022984
N(23dihydro14benzodioxin6yl)3(3methyl4nitro1Hpyrazol5yl)1H124triazol5amine
N(23DIHYDRO14BENZODIOXIN6YL)5(5METHYL4NITRO1HPYRAZOL3YL)1H124TRIAZOL3AMINE
ZINC000012372105
ZINC12372105
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