Vitas-M small molecule compound
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclooctylbenzamide
Catalog ID
STK316789
SMILES O=C(c1cccc(c1)Cn1cc(c(n1)[N+](=O)[O-])Br)NC1CCCCCCC1
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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 C19H23BrN4O3 MW 435.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN4O3/c20-17-13-23(22-18(17)24(26)27)12-14-7-6-8-15(11-14)19(25)21-16-9-4-2-1-3-5-10-16/h6-8,11,13,16H,1-5,9-10,12H2,(H,21,25)InChIKey
IFOCLCBPJGWYQF-UHFFFAOYSA-NSynonyms
492423-57-13((4bromo3nitro1Hpyrazol1yl)methyl)Ncyclooctylbenzamide
3((4BROMO3NITROPYRAZOL1YL)METHYL)NCYCLOOCTYLBENZAMIDE
492423571
C1CCCC(CCC1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)(N+)(=O)(O))Br
InChI=1SC19H23BrN4O3c20171323(2218(17)24(26)27)121476815(1114)19(25)21169421351016h68111316H1591012H2(H2125)
MFCD03073040
O=C(c1cccc(c1)Cn1cc(c(n1)(N+)(=O)(O))Br)NC1CCCCCCC1
ZINC000002763358
ZINC02763358
ZINC2763358
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