Vitas-M small molecule compound
1-[3-(1,3-benzodioxol-5-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(4-bromo-3-nitro-1H-pyrazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone
Catalog ID
STK305599
SMILES O=C(N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCO2)C[C@]12CC3CC(C1)CC(C2)(C3)n1nc(c(c1)Br)[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 C31H30BrN5O6 MW 648.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30BrN5O6/c32-22-15-35(34-29(22)37(40)41)31-12-18-7-19(13-31)11-30(10-18,16-31)14-28(39)36-24(21-3-1-2-4-25(21)38)9-23(33-36)20-5-6-26-27(8-20)43-17-42-26/h1-6,8,15,18-19,24,38H,7,9-14,16-17H2/t18?,19?,24?,30-,31?InChIKey
PWDOVZGWQNBFNZ-MBYQGUCNSA-NSynonyms
1024285-51-51(3(13benzodioxol5yl)5(2hydroxyphenyl)45dihydro1Hpyrazol1yl)2(3(4bromo3nitro1Hpyrazol1yl)tricyclo(3311~37~)dec1yl)ethanone
1024285515
MFCD04045572
O=C(N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCO2)C(C@)12CC3CC(C1)CC(C2)(C3)n1nc(c(c1)Br)(N+)(=O)(O)
ZINC000097949126
ZINC000097949127
Check stock
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Check stock on Vitas-MAvailable files
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