Vitas-M small molecule compound
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]benzamide
Catalog ID
STK308540
SMILES O=C(c1cccc(c1)Cn1cc(c(n1)[N+](=O)[O-])Br)NCCn1nc(cc1C)[N+](=O)[O-]
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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 C17H16BrN7O5 MW 478.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN7O5/c1-11-7-15(24(27)28)20-23(11)6-5-19-17(26)13-4-2-3-12(8-13)9-22-10-14(18)16(21-22)25(29)30/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,26)InChIKey
CLLUJOSFKNGNDS-UHFFFAOYSA-NSynonyms
1005600-06-51005600065
3((4bromo3nitro1Hpyrazol1yl)methyl)N(2(5methyl3nitro1Hpyrazol1yl)ethyl)benzamide
3((4BROMO3NITROPYRAZOL1YL)METHYL)N(2(5METHYL3NITROPYRAZOL1YL)ETHYL)BENZAMIDE
CC1=CC(=NN1CCNC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)(N+)(=O)(O))Br)(N+)(=O)(O)
InChI=1SC17H16BrN7O5c111715(24(27)28)2023(11)651917(26)1342312(813)9221014(18)16(2122)25(29)30h247810H569H21H3(H1926)
MFCD04046877
O=C(c1cccc(c1)Cn1cc(c(n1)(N+)(=O)(O))Br)NCCn1nc(cc1C)(N+)(=O)(O)
ZINC000002797054
ZINC02797054
ZINC2797054
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