Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK780677
SMILES O=C(Cn1nc(c(c1)[N+](=O)[O-])C(=O)N)Nc1ccc2c(c1)OCO2
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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 C13H11N5O6 MW 333.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O6/c14-13(20)12-8(18(21)22)4-17(16-12)5-11(19)15-7-1-2-9-10(3-7)24-6-23-9/h1-4H,5-6H2,(H2,14,20)(H,15,19)InChIKey
BNFKMWRFJZZESN-UHFFFAOYSA-NSynonyms
1(2(13BENZODIOXOL5YLAMINO)2KETOETHYL)4NITROPYRAZOLE3CARBOXAMIDE
1(2(13BENZODIOXOL5YLAMINO)2OXIDANYLIDENEETHYL)4NITROPYRAZOLE3CARBOXAMIDE
1(2(13benzodioxol5ylamino)2oxoethyl)4nitro1Hpyrazole3carboxamide
1(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)4NITRO3PYRAZOLECARBOXAMIDE
1(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)4NITROPYRAZOLE3CARBOXAMIDE
C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C(=N3)C(=O)N)(N+)(=O)(O)
InChI=1SC13H11N5O6c1413(20)128(18(21)22)417(1612)511(19)15712910(37)246239h14H56H2(H21420)(H1519)
MFCD06013494
O=C(Cn1nc(c(c1)(N+)(=O)(O))C(=O)N)Nc1ccc2c(c1)OCO2
ZINC000012375166
ZINC12375166
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