Vitas-M small molecule compound
1-methyl-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STL399492
SMILES [O-][N+](=O)c1cnn(c1C(=O)Nc1nc2c(n1CCN1CCOCC1)cccc2)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 C18H21N7O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O4/c1-22-16(15(12-19-22)25(27)28)17(26)21-18-20-13-4-2-3-5-14(13)24(18)7-6-23-8-10-29-11-9-23/h2-5,12H,6-11H2,1H3,(H,20,21,26)InChIKey
HMYMBOIAIGLLMW-UHFFFAOYSA-NSynonyms
515832-12-9(O)(N+)(=O)c1cnn(c1C(=O)Nc1nc2c(n1CCN1CCOCC1)cccc2)C
1METHYLN(1(2(MORPHOLIN4YL)ETHYL)1HBENZIMIDAZOL2YL)4NITRO1HPYRAZOLE5CARBOXAMIDE
2METHYLN(1(2MORPHOLIN4YLETHYL)BENZIMIDAZOL2YL)4NITROPYRAZOLE3CARBOXAMIDE
515832129
CN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2=NC3=CC=CC=C3N2CCN4CCOCC4
InChI=1SC18H21N7O4c12216(15(121922)25(27)28)17(26)21182013423514(13)24(18)76238102911923h2512H611H21H3(H202126)
MFCD03758901
ZINC000019850937
ZINC19850937
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