Vitas-M small molecule compound
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STL397486
SMILES O=C(c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1cc2OCOc2cc1C(=O)C
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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 C22H20N4O6 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O6/c1-12-21(26(29)30)13(2)25(24-12)10-15-6-4-5-7-16(15)22(28)23-18-9-20-19(31-11-32-20)8-17(18)14(3)27/h4-9H,10-11H2,1-3H3,(H,23,28)InChIKey
YNQZQLFPPNWIDK-UHFFFAOYSA-NSynonyms
1005593-01-01005593010
CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)C)(N+)(=O)(O)
InChI=1SC22H20N4O6c11221(26(29)30)13(2)25(2412)1015645716(15)22(28)231892019(31113220)817(18)14(3)27h49H1011H213H3(H2328)
MFCD04131312
N(6ACETYL(2HBENZO(D)13DIOXOLEN5YL))(2((35DIMETHYL4NITROPYRAZOLYL)METHYL)PHENYL)CARBOXAMIDE
N(6ACETYL13BENZODIOXOL5YL)2((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)BENZAMIDE
N(6acetyl13benzodioxol5yl)2((35dimethyl4nitropyrazol1yl)methyl)benzamide
O=C(c1ccccc1Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1cc2OCOc2cc1C(=O)C
ZINC000002794538
ZINC02794538
ZINC2794538
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