Vitas-M small molecule compound
2-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-methoxyphenyl}-4,6-dinitro-1H-indole
Catalog ID
STK958507
SMILES COc1cc(ccc1Cn1nc(c(c1C)Br)C)c1cc2c([nH]1)cc(cc2[N+](=O)[O-])[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 C21H18BrN5O5 MW 500.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5O5/c1-11-21(22)12(2)25(24-11)10-14-5-4-13(6-20(14)32-3)17-9-16-18(23-17)7-15(26(28)29)8-19(16)27(30)31/h4-9,23H,10H2,1-3H3InChIKey
GRTMFIANTKQLKH-UHFFFAOYSA-NSynonyms
514220-29-22(4((4bromo35dimethyl1Hpyrazol1yl)methyl)3methoxyphenyl)46dinitro1Hindole
2(4((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)3METHOXYPHENYL)46DINITRO1HINDOLE
514220292
CC1=C(C(=NN1CC2=C(C=C(C=C2)C3=CC4=C(C=C(C=C4N3)(N+)(=O)(O))(N+)(=O)(O))OC)C)Br
COc1cc(ccc1Cn1nc(c(c1C)Br)C)c1cc2c((nH)1)cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H18BrN5O5c11121(22)12(2)25(2411)10145413(620(14)323)1791618(2317)715(26(28)29)819(16)27(30)31h4923H10H213H3
MFCD01921725
ZINC000002100390
ZINC02100390
ZINC2100390
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