Vitas-M small molecule compound

4-bromo-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}-5-nitro-1H-pyrazole-3-carboxamide

Catalog ID
STK316123
SMILES O=C(c1n[nH]c(c1Br)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2

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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 C17H18BrN7O4 MW 464.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrN7O4/c18-13-14(21-22-15(13)25(27)28)16(26)20-17-19-11-3-1-2-4-12(11)24(17)6-5-23-7-9-29-10-8-23/h1-4H,5-10H2,(H,21,22)(H,19,20,26)
InChIKey
SGHZPIBUJHICDN-UHFFFAOYSA-N
Synonyms
490013-84-8
490013848
4BROMO5NITRON(1(2(4MORPHOLINYL)ETHYL)1HBENZIMIDAZOL2YL)1HPYRAZOLE3CARBOXAMIDE
4bromoN(1(2(morpholin4yl)ethyl)1Hbenzimidazol2yl)5nitro1Hpyrazole3carboxamide
4BROMON(1(2MORPHOLIN4YLETHYL)BENZIMIDAZOL2YL)3NITRO1HPYRAZOLE5CARBOXAMIDE
C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=C(C(=NN4)(N+)(=O)(O))Br
InChI=1SC17H18BrN7O4c181314(212215(13)25(27)28)16(26)20171911312412(11)24(17)6523792910823h14H510H2(H2122)(H192026)
MFCD03070924
O=C(c1n(nH)c(c1Br)(N+)(=O)(O))Nc1nc2c(n1CCN1CCOCC1)cccc2
ZINC000019832237
ZINC19832237

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.